 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer08_STD_B3LYPDBJ_def2SVPD.in
 Output=12_L-valine_conformer08_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-71046.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     71047.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer08_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:34:11 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer08_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.412250000000     -0.293817000000     -0.659732000000
  C                                                 1.052491000000     -0.579308000000     -0.023478000000
  C                                                -0.027034000000      0.388733000000     -0.598813000000
  C                                                -1.390463000000     -0.046113000000     -0.106970000000
  O                                                -1.821402000000     -1.161736000000     -0.736457000000
  C                                                 1.133559000000     -0.529563000000      1.500987000000
  N                                                 0.135122000000      1.799703000000     -0.297606000000
  O                                                -2.020824000000      0.489404000000      0.767388000000
  H                                                -0.021936000000      0.253255000000     -1.684416000000
  H                                                 0.747954000000     -1.585935000000     -0.324216000000
  H                                                -2.672285000000     -1.401673000000     -0.337129000000
  H                                                -0.239600000000      2.012406000000      0.618715000000
  H                                                 1.104748000000      2.081912000000     -0.335804000000
  H                                                 1.429701000000      0.463432000000      1.845535000000
  H                                                 0.179505000000     -0.772294000000      1.970784000000
  H                                                 1.877624000000     -1.240196000000      1.864259000000
  H                                                 2.361305000000     -0.338696000000     -1.749450000000
  H                                                 2.788843000000      0.693074000000     -0.378253000000
  H                                                 3.151277000000     -1.024146000000     -0.326187000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:34:12 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528159   0.000000
     3  C    2.533711   1.559964   0.000000
     4  C    3.850653   2.501858   1.513255   0.000000
     5  O    4.322381   3.017751   2.375428   1.351509   0.000000
     6  C    2.521772   1.527429   2.568930   3.031491   3.759999
     7  N    3.114366   2.564450   1.451846   2.402247   3.576408
     8  O    4.722526   3.348564   2.419057   1.203593   2.242227
     9  H    2.697133   2.146222   1.094036   2.109697   2.477681
    10  H    2.133547   1.093839   2.139001   2.644064   2.636566
    11  H    5.213819   3.827351   3.204900   1.879783   0.970069
    12  H    3.739706   2.966293   2.040557   2.467510   3.796547
    13  H    2.731040   2.679994   2.053524   3.287390   4.386813
    14  H    2.795566   2.173201   2.846488   3.467742   4.458422
    15  H    3.483347   2.185504   2.827273   2.703553   3.388871
    16  H    2.748088   2.163601   3.513952   3.998996   4.522463
    17  H    1.091831   2.179419   2.749051   4.105984   4.381619
    18  H    1.093164   2.181683   2.840851   4.252833   4.982267
    19  H    1.091235   2.166660   3.488870   4.651022   4.991472
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.107619   0.000000
     8  O    3.395084   2.738467   0.000000
     9  H    3.477753   2.083125   3.172170   0.000000
    10  H    2.143823   3.440758   3.628328   2.413606   0.000000
    11  H    4.315518   4.258157   2.284848   3.402693   3.425223
    12  H    3.020857   1.012573   2.348275   2.906269   3.848693
    13  H    3.192872   1.010582   3.677270   2.536170   3.685178
    14  H    1.091995   2.838064   3.615135   3.822562   3.061454
    15  H    1.090801   3.429684   2.807399   3.801686   2.500434
    16  H    1.091146   4.117154   4.403696   4.293229   2.486989
    17  H    3.479818   3.411230   5.120867   2.456516   2.487931
    18  H    2.786817   2.876346   4.948421   3.130492   3.059743
    19  H    2.766652   4.131844   5.498852   3.680465   2.468111
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.299713   0.000000
    13  H    5.138224   1.650215   0.000000
    14  H    5.006888   2.586692   2.735564   0.000000
    15  H    3.722269   3.123827   3.784563   1.762299   0.000000
    16  H    5.057060   4.075958   4.058820   1.761628   1.764621
    17  H    5.334941   4.230909   3.071917   3.799370   4.334559
    18  H    5.849237   3.450514   2.183311   2.616340   3.804461
    19  H    5.835796   4.648821   3.719673   3.145328   3.764430
                   16         17         18         19
    16  H    0.000000
    17  H    3.755735   0.000000
    18  H    3.097856   1.768479   0.000000
    19  H    2.543015   1.766232   1.755823   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.83D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9403174           1.4385027           1.3450378
 Leave Link  202 at Thu Aug 12 20:34:12 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.6814012426 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0287194848 Hartrees.
 Nuclear repulsion after empirical dispersion term =      408.6526817579 Hartrees.
 Leave Link  301 at Thu Aug 12 20:34:13 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  4.66D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 20:34:13 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:34:13 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer08_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:34:13 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.134780108721    
 DIIS: error= 2.64D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.134780108721     IErMin= 1 ErrMin= 2.64D-03
 ErrMax= 2.64D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.64D-03 BMatP= 8.64D-03
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.64D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.240 Goal=   None    Shift=    0.000
 GapD=    0.240 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.46D-03 MaxDP=6.12D-01              OVMax= 1.99D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.19D-03    CP:  1.12D+00
 E= -402.142424313413     Delta-E=       -0.007644204692 Rises=F Damp=F
 DIIS: error= 7.64D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.142424313413     IErMin= 2 ErrMin= 7.64D-04
 ErrMax= 7.64D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-04 BMatP= 8.64D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.64D-03
 Coeff-Com:  0.507D-01 0.949D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.503D-01 0.950D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=3.55D-04 MaxDP=1.55D-02 DE=-7.64D-03 OVMax= 7.25D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.54D-04    CP:  1.12D+00  1.03D+00
 E= -402.142293026738     Delta-E=        0.000131286675 Rises=F Damp=F
 DIIS: error= 1.02D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.142424313413     IErMin= 2 ErrMin= 7.64D-04
 ErrMax= 1.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.12D-04 BMatP= 3.86D-04
 IDIUse=3 WtCom= 2.38D-01 WtEn= 7.62D-01
 Coeff-Com: -0.156D-01 0.563D+00 0.452D+00
 Coeff-En:   0.000D+00 0.578D+00 0.422D+00
 Coeff:     -0.371D-02 0.575D+00 0.429D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=2.16D-04 MaxDP=2.43D-02 DE= 1.31D-04 OVMax= 3.75D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.29D-04    CP:  1.12D+00  1.05D+00  6.77D-01
 E= -402.142740648563     Delta-E=       -0.000447621825 Rises=F Damp=F
 DIIS: error= 1.50D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.142740648563     IErMin= 4 ErrMin= 1.50D-04
 ErrMax= 1.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.65D-06 BMatP= 3.86D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.50D-03
 Coeff-Com: -0.996D-02 0.281D+00 0.228D+00 0.501D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.995D-02 0.281D+00 0.228D+00 0.502D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=3.50D-05 MaxDP=3.34D-03 DE=-4.48D-04 OVMax= 7.44D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.42D-05    CP:  1.12D+00  1.05D+00  6.52D-01  1.09D+00
 E= -402.142748226670     Delta-E=       -0.000007578107 Rises=F Damp=F
 DIIS: error= 5.09D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.142748226670     IErMin= 5 ErrMin= 5.09D-05
 ErrMax= 5.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-06 BMatP= 9.65D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.341D-02 0.749D-01 0.610D-01 0.272D+00 0.595D+00
 Coeff:     -0.341D-02 0.749D-01 0.610D-01 0.272D+00 0.595D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=7.51D-06 MaxDP=2.47D-04 DE=-7.58D-06 OVMax= 4.91D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.64D-06    CP:  1.12D+00  1.05D+00  6.60D-01  1.10D+00  9.06D-01
 E= -402.142748899613     Delta-E=       -0.000000672943 Rises=F Damp=F
 DIIS: error= 2.68D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.142748899613     IErMin= 6 ErrMin= 2.68D-05
 ErrMax= 2.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.46D-07 BMatP= 1.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.548D-03 0.166D-02 0.144D-02 0.978D-01 0.417D+00 0.482D+00
 Coeff:     -0.548D-03 0.166D-02 0.144D-02 0.978D-01 0.417D+00 0.482D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=4.22D-06 MaxDP=3.16D-04 DE=-6.73D-07 OVMax= 1.99D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.21D-06    CP:  1.12D+00  1.05D+00  6.61D-01  1.11D+00  9.14D-01
                    CP:  6.84D-01
 E= -402.142749237689     Delta-E=       -0.000000338077 Rises=F Damp=F
 DIIS: error= 3.27D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.142749237689     IErMin= 7 ErrMin= 3.27D-06
 ErrMax= 3.27D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.88D-09 BMatP= 4.46D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.604D-04-0.329D-02-0.262D-02 0.280D-01 0.156D+00 0.218D+00
 Coeff-Com:  0.604D+00
 Coeff:     -0.604D-04-0.329D-02-0.262D-02 0.280D-01 0.156D+00 0.218D+00
 Coeff:      0.604D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.61D-06 MaxDP=1.60D-04 DE=-3.38D-07 OVMax= 2.25D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.90D-07    CP:  1.12D+00  1.05D+00  6.61D-01  1.12D+00  9.31D-01
                    CP:  6.81D-01  8.97D-01
 E= -402.142749244255     Delta-E=       -0.000000006566 Rises=F Damp=F
 DIIS: error= 1.03D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.142749244255     IErMin= 8 ErrMin= 1.03D-06
 ErrMax= 1.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.42D-10 BMatP= 7.88D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-04-0.146D-02-0.119D-02 0.408D-02 0.353D-01 0.587D-01
 Coeff-Com:  0.291D+00 0.614D+00
 Coeff:      0.105D-04-0.146D-02-0.119D-02 0.408D-02 0.353D-01 0.587D-01
 Coeff:      0.291D+00 0.614D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=3.77D-07 MaxDP=3.82D-05 DE=-6.57D-09 OVMax= 8.53D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.47D-07    CP:  1.12D+00  1.05D+00  6.61D-01  1.11D+00  9.31D-01
                    CP:  6.95D-01  9.02D-01  9.17D-01
 E= -402.142749244996     Delta-E=       -0.000000000741 Rises=F Damp=F
 DIIS: error= 2.54D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.142749244996     IErMin= 9 ErrMin= 2.54D-07
 ErrMax= 2.54D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.42D-11 BMatP= 8.42D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.111D-04-0.324D-03-0.265D-03-0.917D-03 0.861D-03 0.420D-02
 Coeff-Com:  0.640D-01 0.254D+00 0.678D+00
 Coeff:      0.111D-04-0.324D-03-0.265D-03-0.917D-03 0.861D-03 0.420D-02
 Coeff:      0.640D-01 0.254D+00 0.678D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=2.00D-07 MaxDP=2.56D-05 DE=-7.41D-10 OVMax= 2.61D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.24D-08    CP:  1.12D+00  1.05D+00  6.61D-01  1.12D+00  9.33D-01
                    CP:  6.95D-01  9.21D-01  9.30D-01  7.17D-01
 E= -402.142749245047     Delta-E=       -0.000000000051 Rises=F Damp=F
 DIIS: error= 6.83D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.142749245047     IErMin=10 ErrMin= 6.83D-08
 ErrMax= 6.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.07D-12 BMatP= 5.42D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.439D-05-0.728D-04-0.583D-04-0.694D-03-0.149D-02-0.139D-02
 Coeff-Com:  0.153D-01 0.895D-01 0.327D+00 0.572D+00
 Coeff:      0.439D-05-0.728D-04-0.583D-04-0.694D-03-0.149D-02-0.139D-02
 Coeff:      0.153D-01 0.895D-01 0.327D+00 0.572D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=3.57D-08 MaxDP=3.21D-06 DE=-5.09D-11 OVMax= 6.58D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.78D-08    CP:  1.12D+00  1.05D+00  6.61D-01  1.12D+00  9.33D-01
                    CP:  6.96D-01  9.21D-01  9.39D-01  7.74D-01  8.19D-01
 E= -402.142749245047     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 2.15D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.142749245047     IErMin=11 ErrMin= 2.15D-08
 ErrMax= 2.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-13 BMatP= 5.07D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.938D-06-0.158D-05 0.207D-06-0.230D-03-0.701D-03-0.113D-02
 Coeff-Com:  0.376D-03 0.141D-01 0.786D-01 0.264D+00 0.645D+00
 Coeff:      0.938D-06-0.158D-05 0.207D-06-0.230D-03-0.701D-03-0.113D-02
 Coeff:      0.376D-03 0.141D-01 0.786D-01 0.264D+00 0.645D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.19D-08 MaxDP=1.41D-06 DE=-5.68D-13 OVMax= 1.69D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.86D-09    CP:  1.12D+00  1.05D+00  6.61D-01  1.12D+00  9.33D-01
                    CP:  6.96D-01  9.22D-01  9.42D-01  7.76D-01  8.59D-01
                    CP:  8.46D-01
 E= -402.142749245040     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 5.20D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -402.142749245047     IErMin=12 ErrMin= 5.20D-09
 ErrMax= 5.20D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-14 BMatP= 4.07D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.550D-07 0.415D-05 0.431D-05-0.418D-04-0.133D-03-0.341D-03
 Coeff-Com: -0.901D-03-0.987D-03 0.607D-02 0.564D-01 0.226D+00 0.714D+00
 Coeff:      0.550D-07 0.415D-05 0.431D-05-0.418D-04-0.133D-03-0.341D-03
 Coeff:     -0.901D-03-0.987D-03 0.607D-02 0.564D-01 0.226D+00 0.714D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=2.01D-09 MaxDP=8.87D-08 DE= 6.93D-12 OVMax= 4.80D-08

 SCF Done:  E(RB3LYP) =  -402.142749245     A.U. after   12 cycles
            NFock= 12  Conv=0.20D-08     -V/T= 2.0104
 KE= 3.980064969006D+02 PE=-1.754011761042D+03 EE= 5.452098331382D+02
 Leave Link  502 at Thu Aug 12 20:34:54 2021, MaxMem=  5368709120 cpu:             322.3 elap:              40.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.30660692D+02

 Leave Link  801 at Thu Aug 12 20:34:54 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.65D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.86D-01 5.81D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 3.72D-02 3.00D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 2.29D-03 1.35D-02.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 7.34D-05 2.22D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 2.06D-06 2.51D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 4.93D-08 3.53D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 5.29D-10 3.65D-06.
      9 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 4.70D-12 2.93D-07.
      3 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 3.43D-14 2.23D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.883730D+02
      2  0.396564D+00  0.768743D+02
      3 -0.265107D+01  0.230137D+01  0.748587D+02
 Isotropic polarizability for W=    0.088559       80.04 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.694224D+02 -0.239121D+02  0.101531D+01
      2  -0.388815D+02  0.230357D+02 -0.785645D+01
      3  -0.305409D+02  0.876332D+00  0.684114D+01
      4  -0.284685D+02  0.441558D+02 -0.190647D+02
      5   0.951235D+01 -0.216109D+02  0.601205D+02
      6  -0.547209D+01  0.269864D+01 -0.862987D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.245419D+01  0.701741D+00 -0.772077D+00
      2   0.643218D+01 -0.698789D+01  0.299153D+02
      3   0.775986D+01 -0.246552D+02  0.812959D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.254618D+01  0.105551D+02  0.950620D+01
      2  -0.849704D+01 -0.135926D+02  0.906614D+02
      3  -0.455640D+01 -0.830373D+02  0.161388D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.656915D-01 -0.152622D+01 -0.112822D+01
      2  -0.152622D+01 -0.560457D+00 -0.361993D+00
      3  -0.112822D+01 -0.361993D+00 -0.686333D+00
 OR G Eigenvalues:    -2.4651    -0.2941     1.4467  Iso=     0.4375
 Eigenvectors:
   (1)   0.619271   0.593861   0.513647
   (2)  -0.083835  -0.600430   0.795271
   (3)   0.780689  -0.535549  -0.322043
 w=    0.088559 a.u., Optical Rotation Beta=      0.4375 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      189.37 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 1.94D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.20D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 4.00D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.19D-02 2.94D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 8.65D-04 5.72D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 6.37D-06 3.85D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 4.33D-08 2.68D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 1.15D-10 1.66D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 1.85D-13 6.59D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   210 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 7.83D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 7.83D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.63D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.883730D+02  0.396564D+00 -0.265107D+01
      2   0.396564D+00  0.768743D+02  0.230137D+01
      3  -0.265107D+01  0.230137D+01  0.748587D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.245419D+01  0.701741D+00 -0.772077D+00
      2   0.643218D+01 -0.698789D+01  0.299153D+02
      3   0.775986D+01 -0.246552D+02  0.812959D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.694224D+02 -0.239121D+02  0.101531D+01
      2  -0.388815D+02  0.230357D+02 -0.785645D+01
      3  -0.305409D+02  0.876332D+00  0.684114D+01
      4  -0.284685D+02  0.441558D+02 -0.190647D+02
      5   0.951235D+01 -0.216109D+02  0.601205D+02
      6  -0.547209D+01  0.269864D+01 -0.862987D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.157338D+00  0.234172D+01 -0.331861D+01  0.422018D+01 -0.451720D+01
      2   0.234172D+01 -0.403485D+01  0.131594D+00 -0.451720D+01 -0.248114D+01
      3  -0.331861D+01  0.131594D+00  0.100258D+01 -0.288643D-02 -0.191822D+01
                 6             7             8             9            10 
      1  -0.288643D-02 -0.491231D+01  0.568629D+00 -0.216574D+00  0.247558D+01
      2  -0.191822D+01  0.568629D+00 -0.231469D+01  0.301938D+00 -0.262224D+01
      3   0.415301D+00 -0.216574D+00  0.301938D+00  0.723332D+01  0.399683D+01
                11            12            13            14            15 
      1  -0.262224D+01  0.399683D+01 -0.691926D+01  0.432443D+01  0.215591D+00
      2   0.391163D+01  0.360834D+00  0.432443D+01  0.433759D+01  0.290891D+01
      3   0.360834D+00 -0.284584D+00  0.215591D+00  0.290891D+01  0.152369D+00
                16            17            18            19            20 
      1   0.711097D+01 -0.289906D+00  0.108211D+00 -0.495178D+01  0.428971D+01
      2  -0.289906D+00  0.322184D+01  0.336372D+00  0.428971D+01 -0.161268D+01
      3   0.108211D+00  0.336372D+00 -0.488640D+01 -0.105857D+01  0.477567D+00
                21            22            23            24            25 
      1  -0.105857D+01  0.785173D+01 -0.126865D+01 -0.302917D+00 -0.348126D+01
      2   0.477567D+00 -0.126865D+01  0.167543D+00 -0.307661D+00  0.494322D+00
      3  -0.391426D+00 -0.302917D+00 -0.307661D+00  0.211919D+01 -0.778811D+00
                26            27            28            29            30 
      1   0.494322D+00 -0.778811D+00  0.183086D+01 -0.288295D+01 -0.992625D+00
      2  -0.193779D+01  0.212735D+01 -0.288295D+01  0.582737D+00  0.172747D+01
      3   0.212735D+01  0.664294D+01 -0.992625D+00  0.172747D+01  0.777965D+00
                31            32            33            34            35 
      1  -0.435408D+01 -0.623459D+00  0.212256D+01 -0.538409D+01  0.153010D+01
      2  -0.623459D+00 -0.557116D+00  0.668082D+00  0.153010D+01 -0.413383D+00
      3   0.212256D+01  0.668082D+00 -0.123479D+01  0.194104D+01 -0.991926D+00
                36            37            38            39            40 
      1   0.194104D+01  0.516377D+01  0.213279D+01 -0.172848D+01  0.461591D+00
      2  -0.991926D+00  0.213279D+01  0.203877D+01 -0.788324D+00  0.422707D+00
      3  -0.312554D+01 -0.172848D+01 -0.788324D+00  0.228983D+00 -0.103152D+01
                41            42            43            44            45 
      1   0.422707D+00 -0.103152D+01 -0.375116D+01 -0.191636D+01 -0.114736D+01
      2  -0.298250D+01 -0.172598D+01 -0.191636D+01 -0.225333D+01 -0.152510D+01
      3  -0.172598D+01 -0.773546D+00 -0.114736D+01 -0.152510D+01 -0.275488D+01
                46            47            48            49            50 
      1   0.113022D+01  0.312087D+01 -0.453275D+01  0.330218D+01 -0.332462D+01
      2   0.312087D+01 -0.310652D+01  0.145447D+00 -0.332462D+01 -0.236762D+01
      3  -0.453275D+01  0.145447D+00  0.784219D+00  0.487892D-01 -0.324650D+01
                51            52            53            54            55 
      1   0.487892D-01 -0.370063D+01 -0.348133D-01  0.343758D+00 -0.351421D+01
      2  -0.324650D+01 -0.348133D-01 -0.260155D+01 -0.104555D+00 -0.788089D+00
      3   0.292238D+00  0.343758D+00 -0.104555D+00  0.320719D+01 -0.203138D-02
                56            57            58            59            60 
      1  -0.788089D+00 -0.203138D-02 -0.239372D+01 -0.721688D+00  0.169945D+00
      2  -0.525263D+00 -0.223727D-01 -0.721688D+00  0.379889D+01 -0.171711D+01
      3  -0.223727D-01  0.130278D+01  0.169945D+00 -0.171711D+01 -0.159097D+01
                61            62            63            64            65 
      1  -0.173075D+00 -0.648602D+00  0.730289D+00 -0.660480D+01  0.249450D+01
      2  -0.648602D+00 -0.997479D+00 -0.598337D+00  0.249450D+01 -0.194059D+01
      3   0.730289D+00 -0.598337D+00 -0.363937D+01  0.290225D+01 -0.142230D+01
                66            67            68            69            70 
      1   0.290225D+01  0.482351D+01 -0.190672D+01 -0.128862D+01  0.691966D+01
      2  -0.142230D+01 -0.190672D+01  0.400440D+01  0.180276D+01 -0.860364D+00
      3  -0.203327D+01 -0.128862D+01  0.180276D+01  0.178371D+01 -0.314257D+01
                71            72            73            74            75 
      1  -0.860364D+00 -0.314257D+01  0.719461D+00 -0.755338D+00 -0.113137D+01
      2   0.254859D+01  0.215666D+01 -0.755338D+00  0.393432D+00  0.415620D-01
      3   0.215666D+01  0.626703D+01 -0.113137D+01  0.415620D-01  0.222510D+00
                76            77            78            79            80 
      1  -0.128234D+01  0.230816D+00  0.863859D-01 -0.131354D+01 -0.867708D-01
      2   0.230816D+00 -0.230890D+00 -0.130846D+01 -0.867708D-01 -0.171920D+01
      3   0.863859D-01 -0.130846D+01 -0.744516D+00  0.254346D+00 -0.837635D+00
                81            82            83            84            85 
      1   0.254346D+00 -0.136714D+01 -0.104573D+01 -0.101486D+01 -0.105193D+01
      2  -0.837635D+00 -0.104573D+01 -0.159378D+01 -0.167739D+00 -0.125023D+01
      3  -0.908726D+01 -0.101486D+01 -0.167739D+00 -0.446530D+00 -0.893353D-01
                86            87            88            89            90 
      1  -0.125023D+01 -0.893353D-01 -0.137129D+01 -0.143388D+00 -0.193898D+00
      2  -0.822555D+01 -0.163863D+01 -0.143388D+00 -0.187987D+01 -0.167040D+01
      3  -0.163863D+01 -0.167405D+01 -0.193898D+00 -0.167040D+01 -0.608719D+00
                91            92            93            94            95 
      1  -0.800190D+01 -0.396086D+01  0.191173D+00 -0.235986D+01 -0.204622D+01
      2  -0.396086D+01 -0.311404D+01 -0.598396D-01 -0.204622D+01 -0.249001D+01
      3   0.191173D+00 -0.598396D-01 -0.112184D+01  0.168365D+00 -0.506438D-01
                96            97            98            99           100 
      1   0.168365D+00  0.271007D+01  0.156309D+01 -0.105097D+01 -0.126546D+01
      2  -0.506438D-01  0.156309D+01  0.120255D+01 -0.646804D+00  0.180613D+00
      3  -0.642342D+00 -0.105097D+01 -0.646804D+00  0.302859D+00  0.618071D+00
               101           102           103           104           105 
      1   0.180613D+00  0.618071D+00  0.470993D+00 -0.348544D+00 -0.152025D+00
      2  -0.148032D+01 -0.372807D+00 -0.348544D+00  0.164829D+01  0.102307D+01
      3  -0.372807D+00 -0.170951D+01 -0.152025D+00  0.102307D+01  0.180799D+01
               106           107           108           109           110 
      1   0.161637D+01 -0.262617D-01 -0.957578D+00  0.590595D+01  0.230588D+01
      2  -0.262617D-01  0.237138D+01  0.197033D+01  0.230588D+01  0.287114D+01
      3  -0.957578D+00  0.197033D+01  0.400724D+01 -0.422850D+00  0.114585D+00
               111           112           113           114           115 
      1  -0.422850D+00  0.231438D+01  0.132171D+01  0.281952D+00 -0.875288D+00
      2   0.114585D+00  0.132171D+01  0.201780D+01 -0.725948D-01  0.246173D+00
      3   0.695040D+00  0.281952D+00 -0.725948D-01  0.714194D+00  0.401527D+00
               116           117           118           119           120 
      1   0.246173D+00  0.401527D+00  0.982992D+00  0.699388D+00  0.114344D+01
      2  -0.502155D+00  0.582598D+00  0.699388D+00  0.139723D+01  0.536809D+00
      3   0.582598D+00 -0.319402D+00  0.114344D+01  0.536809D+00  0.820318D+00
               121           122           123           124           125 
      1   0.127347D+01  0.124883D+01  0.941416D+00  0.825686D+00  0.410999D+00
      2   0.124883D+01  0.492883D+01  0.191782D+01  0.410999D+00  0.168217D+01
      3   0.941416D+00  0.191782D+01  0.303530D+01  0.496019D+00  0.146548D+01
               126           127           128           129           130 
      1   0.496019D+00 -0.498628D+01 -0.119836D+01  0.240580D+01 -0.123480D+01
      2   0.146548D+01 -0.119836D+01 -0.101323D+01  0.893746D+00 -0.554883D+00
      3   0.171588D+01  0.240580D+01  0.893746D+00 -0.333099D+01  0.525247D+00
               131           132           133           134           135 
      1  -0.554883D+00  0.525247D+00  0.195857D+01  0.502868D+00 -0.189513D+01
      2  -0.725766D+00  0.120405D+01  0.502868D+00  0.925356D+00 -0.721910D+00
      3   0.120405D+01 -0.999702D+00 -0.189513D+01 -0.721910D+00  0.268231D+01
               136           137           138           139           140 
      1   0.396675D+01 -0.254225D+01  0.255608D+01 -0.279848D+01  0.252163D+01
      2  -0.254225D+01  0.242514D+01 -0.139171D+01  0.252163D+01 -0.321423D+01
      3   0.255608D+01 -0.139171D+01  0.233984D+01 -0.143915D+01  0.228713D+01
               141           142           143           144           145 
      1  -0.143915D+01  0.142762D+01 -0.927562D+00  0.158192D+01  0.903190D-01
      2   0.228713D+01 -0.927562D+00  0.144466D+01 -0.150473D+01 -0.190401D+00
      3  -0.235916D+01  0.158192D+01 -0.150473D+01  0.191497D+01 -0.736684D+00
               146           147           148           149           150 
      1  -0.190401D+00 -0.736684D+00 -0.515578D+00  0.745715D+00  0.564284D-01
      2   0.204807D+00 -0.170406D-02  0.745715D+00 -0.126068D-01 -0.956558D+00
      3  -0.170406D-02 -0.782876D-01  0.564284D-01 -0.956558D+00 -0.377359D+00
               151           152           153           154           155 
      1  -0.188917D+01  0.138019D+00  0.193639D+01  0.228423D+01  0.153899D+01
      2   0.138019D+00 -0.108974D+01 -0.291232D+00  0.153899D+01  0.207147D+01
      3   0.193639D+01 -0.291232D+00 -0.965806D+01  0.413858D+00  0.101964D+00
               156           157           158           159           160 
      1   0.413858D+00  0.316386D+01  0.234303D+01 -0.160038D+00  0.151157D+01
      2   0.101964D+00  0.234303D+01  0.539991D+01  0.550337D+00  0.312560D+00
      3   0.401524D+00 -0.160038D+00  0.550337D+00  0.121913D+01  0.549684D+00
               161           162           163           164           165 
      1   0.312560D+00  0.549684D+00  0.629877D+01 -0.311825D+01  0.711325D+00
      2   0.122783D+01  0.796469D+00 -0.311825D+01  0.252493D+01 -0.304779D+00
      3   0.796469D+00 -0.188303D-01  0.711325D+00 -0.304779D+00  0.820684D+00
               166           167           168           169           170 
      1  -0.497184D+01  0.340335D+01 -0.150182D+00  0.277130D+01 -0.832723D+00
      2   0.340335D+01 -0.301581D+01  0.580207D+00 -0.832723D+00  0.108481D+01
      3  -0.150182D+00  0.580207D+00 -0.114299D+01  0.103971D+01 -0.844582D+00
               171 
      1   0.103971D+01
      2  -0.844582D+00
      3   0.124714D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.335560D+01  0.353009D+01  0.383302D+00  0.457665D+01  0.126693D+01
      2  -0.855441D+01  0.224714D+01  0.966006D+00  0.369001D+01 -0.918923D+01
      3  -0.641506D+01  0.883554D+01  0.110917D+01  0.167725D+02  0.104859D+02
                 6             7             8             9            10 
      1  -0.567419D+00  0.652235D+00  0.334763D+01  0.133418D+01  0.362037D+01
      2   0.837190D+00 -0.912797D+01  0.118449D+01  0.214366D+02  0.814488D+01
      3   0.407311D+01 -0.158211D+01  0.646950D+01 -0.918396D+00 -0.415771D+00
                11            12            13            14            15 
      1  -0.113849D+01  0.341985D+00 -0.784667D+00  0.424478D+01 -0.499422D+01
      2  -0.139807D+01  0.441992D+01 -0.469302D+01  0.450973D+01 -0.870231D-01
      3  -0.368946D+01 -0.176249D+01  0.145479D+01 -0.128275D+02 -0.308434D+01
                16            17            18            19            20 
      1  -0.554498D+00  0.173175D+01 -0.245612D+01 -0.242023D+01 -0.337680D+00
      2  -0.221186D+01  0.958672D+00 -0.478672D+01 -0.270409D+01  0.195743D+01
      3  -0.803693D+00 -0.240345D+01 -0.947343D+00  0.889544D+01 -0.604647D+01
                21            22            23            24            25 
      1  -0.184315D+01  0.243567D+01 -0.834953D+00  0.272240D+01 -0.293957D+01
      2   0.213876D+01  0.673257D+01 -0.165039D+01  0.220011D+01 -0.762280D+01
      3   0.675994D+00  0.976330D+00  0.159447D+01 -0.113600D+01 -0.207822D+01
                26            27            28            29            30 
      1   0.464011D+01 -0.238491D+01  0.998570D+00  0.398509D+01  0.217301D+01
      2   0.983786D+00 -0.169532D+01 -0.534086D+01 -0.182138D+01 -0.551385D+01
      3   0.108234D+01  0.482905D+00 -0.999904D+01  0.298225D+01 -0.139043D+01
                31            32            33            34            35 
      1   0.110247D+00 -0.861001D+01 -0.652391D+00  0.211190D+00  0.161057D+01
      2   0.258480D+01  0.147318D+01  0.343713D+00 -0.103881D+02  0.602633D+00
      3   0.239497D+01  0.411891D+01 -0.151641D+01 -0.575778D+01 -0.706203D+01
                36            37            38            39            40 
      1   0.720393D+01 -0.299391D+01 -0.784029D+00 -0.466628D+00 -0.662308D-01
      2   0.915061D+01  0.562862D+01  0.291582D+01  0.884568D+00 -0.277676D+01
      3  -0.228683D+01 -0.931852D-01 -0.403640D+00  0.709512D+00  0.670877D+01
                41            42            43            44            45 
      1   0.261421D+01 -0.435853D+01  0.304187D+01  0.381925D+01 -0.321109D+01
      2   0.252826D+01  0.202588D+01 -0.520626D+01  0.102129D+01  0.588811D+01
      3  -0.717589D+01 -0.236865D+01  0.241634D+01 -0.234541D+01 -0.280784D+01
                46            47            48            49            50 
      1   0.277586D+01 -0.564037D+01  0.342171D+00 -0.603983D+01 -0.756789D+01
      2  -0.105224D+02 -0.616050D+01  0.134524D+02 -0.443342D+01  0.160909D+01
      3  -0.521945D+01  0.149274D+00  0.217919D+01  0.452632D+01  0.594257D+01
                51            52            53            54            55 
      1  -0.959525D+01 -0.228854D+00 -0.344527D+01  0.282169D+01  0.124268D+01
      2  -0.227978D+00  0.599735D+01  0.245469D+00  0.222298D+01 -0.206934D+01
      3   0.395021D+01  0.206345D+01  0.322787D+01  0.215102D+00 -0.145697D+02
                56            57            58            59            60 
      1   0.255402D+01 -0.273147D+01  0.496441D+00 -0.172839D+01 -0.337997D+01
      2   0.268241D+00  0.235758D+01 -0.138147D+01 -0.314296D+00 -0.136196D+01
      3  -0.747107D+01 -0.573726D+00  0.583922D+01 -0.695967D+00  0.635045D+00
                61            62            63            64            65 
      1  -0.199228D+01  0.735955D+01  0.105954D+02 -0.339536D+00 -0.326771D+01
      2  -0.160869D+01 -0.112649D+00  0.111381D+01 -0.183722D+01  0.261223D+01
      3  -0.260114D+01 -0.191783D+01  0.352885D+01  0.255065D+01 -0.874882D+01
                66            67            68            69            70 
      1   0.106179D+01  0.702636D+00  0.290512D+01 -0.327961D+01 -0.117145D+00
      2   0.976716D+01  0.158073D+01 -0.474868D+01 -0.354796D+01  0.168140D+01
      3  -0.969280D+00  0.143102D+01  0.628073D+01  0.358807D+01  0.371214D+01
                71            72            73            74            75 
      1   0.530795D+01 -0.250612D+01  0.326191D+00 -0.559535D+00  0.362998D+00
      2  -0.375603D+01 -0.140634D+02  0.822755D+00 -0.611932D+00 -0.114281D+00
      3   0.768884D+01  0.364298D+01 -0.326172D+00  0.506009D-01 -0.487039D+00
                76            77            78            79            80 
      1  -0.737683D+00  0.636681D+00 -0.101697D+00  0.513357D+00  0.363931D+01
      2  -0.105037D+01  0.131921D+00 -0.292954D+00 -0.444831D+01 -0.515305D-01
      3   0.160436D+01 -0.206314D+00 -0.212992D+00  0.582794D+00 -0.211527D+00
                81            82            83            84            85 
      1   0.154314D+01 -0.130687D+01  0.117065D+00 -0.629414D+00 -0.329073D+00
      2   0.482512D+00 -0.176248D+01 -0.296585D+00  0.561112D-01 -0.439632D+00
      3  -0.167622D-01  0.372331D+01  0.162974D+01  0.114651D+01  0.573896D+01
                86            87            88            89            90 
      1   0.390837D+00 -0.395127D+01 -0.864895D-01  0.332291D+00 -0.379424D+00
      2  -0.161818D+01 -0.143833D+01 -0.204955D+01 -0.169394D+01 -0.519062D+00
      3   0.921219D+01  0.205203D+01  0.211368D+01  0.193502D+01  0.185896D+01
                91            92            93            94            95 
      1   0.336868D+01  0.199752D+01 -0.191028D+01  0.204857D+01  0.187025D+01
      2  -0.540600D+01 -0.278221D+01  0.382255D+01 -0.260369D+01 -0.178904D+01
      3   0.134995D+01 -0.398080D+01 -0.725837D+00  0.137122D-01 -0.231626D+01
                96            97            98            99           100 
      1  -0.965457D+00 -0.178478D+01 -0.685045D+00  0.126813D+01 -0.184174D+01
      2   0.164725D+01  0.296764D+01  0.182859D+01 -0.232088D+01  0.485416D+00
      3  -0.445623D-01  0.286898D+00  0.196527D+01 -0.353334D+00 -0.265111D+01
               101           102           103           104           105 
      1  -0.345376D-01  0.439263D+01 -0.163236D+00 -0.218111D+01 -0.487887D+01
      2   0.618901D+00  0.574372D-01  0.464820D+00  0.101099D+00 -0.871242D-02
      3  -0.940799D+00  0.157930D+01  0.380935D+00 -0.843966D+00 -0.193023D+00
               106           107           108           109           110 
      1   0.291056D+01 -0.328904D+01 -0.122837D+02 -0.684410D+00 -0.164529D+01
      2  -0.246601D+01 -0.291198D-01 -0.123326D+01  0.258149D+01  0.561623D+00
      3   0.519895D+01 -0.177748D+00 -0.323212D+01  0.175826D+02  0.152114D+01
               111           112           113           114           115 
      1  -0.255346D+01 -0.133481D+01 -0.699454D+00 -0.140858D+01 -0.815805D+00
      2   0.187855D+01  0.693698D+00  0.500732D+00  0.107358D+01 -0.989937D+00
      3  -0.488798D+00  0.452364D+01  0.232598D+01  0.837488D+00 -0.167776D+01
               116           117           118           119           120 
      1   0.253033D+00 -0.627028D+00  0.205808D+01  0.299740D+01  0.123446D+01
      2   0.467411D+00  0.122290D+00  0.339822D+00 -0.586800D+00  0.513811D+00
      3   0.617595D+00  0.435100D+00 -0.653531D+00 -0.293989D+01 -0.103612D+01
               121           122           123           124           125 
      1   0.233785D+01  0.133585D+02  0.255325D+01  0.145180D+01  0.513324D+01
      2  -0.228962D+01  0.246994D+00  0.324028D+01 -0.212386D+01  0.957732D+00
      3   0.127959D+00 -0.817983D+01 -0.222618D+01 -0.666138D+00 -0.192752D+01
               126           127           128           129           130 
      1   0.336098D+01 -0.177462D+00 -0.235966D+01 -0.125127D+01 -0.950864D+00
      2   0.119557D+01  0.158206D+02  0.315480D+01 -0.608610D+01  0.282260D+01
      3  -0.230721D+01  0.549396D+01  0.199062D+00 -0.200958D+01  0.236444D+01
               131           132           133           134           135 
      1  -0.845097D-02  0.340157D+00 -0.435692D+00  0.242550D+01  0.504427D+00
      2   0.229932D+01 -0.177599D+01 -0.821148D+01 -0.185814D+01  0.558554D+01
      3   0.693177D+00 -0.153270D+01 -0.190113D+01 -0.499969D+00  0.200749D+01
               136           137           138           139           140 
      1  -0.265831D+01  0.450594D+01  0.414994D+00  0.355851D+01 -0.463270D+01
      2  -0.402793D+01  0.255790D+01  0.112044D+01  0.392765D+01 -0.135218D+01
      3  -0.211859D+00 -0.309916D+01  0.267608D+00  0.221615D+00  0.325443D+01
               141           142           143           144           145 
      1   0.524909D+00 -0.601839D+00  0.272564D+01 -0.691140D+00 -0.214103D+00
      2  -0.145633D+01 -0.265453D+01  0.555206D-01  0.300469D+00 -0.252375D+01
      3  -0.211890D+01 -0.512297D+00 -0.184664D+01  0.819551D+00  0.742776D+00
               146           147           148           149           150 
      1  -0.132660D+00 -0.299626D-01 -0.539502D+00 -0.351088D+00 -0.162211D+00
      2  -0.876123D-01  0.328489D+00 -0.302511D+00 -0.132505D+01 -0.916866D+00
      3  -0.121644D+01  0.298672D+00 -0.908749D+00 -0.637964D+00  0.210082D+01
               151           152           153           154           155 
      1   0.472280D+00  0.369999D+01 -0.283556D+01 -0.112110D+01 -0.182724D+01
      2  -0.365024D+00 -0.619670D+00 -0.239384D+02  0.282230D+01  0.167109D+01
      3   0.516345D+00  0.305291D+01  0.288585D+00 -0.485716D+01 -0.690043D+01
               156           157           158           159           160 
      1  -0.799536D+00 -0.185347D+01 -0.403416D+01 -0.244406D+01 -0.351316D+00
      2   0.234135D+01  0.152836D+01  0.417027D+01  0.439324D+01  0.107627D+01
      3  -0.444090D+00 -0.410607D+01 -0.187578D+02 -0.220990D+01 -0.378677D+00
               161           162           163           164           165 
      1   0.294479D+00 -0.106507D+01  0.272285D+01 -0.195992D+01  0.150784D+01
      2   0.235604D+01  0.710848D+00  0.677768D+01 -0.367007D+01  0.503895D+01
      3  -0.418936D+01 -0.219303D+01  0.487465D+01 -0.836770D+01  0.770345D+00
               166           167           168           169           170 
      1  -0.214230D+01  0.221083D+01 -0.283109D+01  0.853637D+00 -0.463874D+00
      2  -0.405476D+01  0.441645D+01 -0.464713D+01  0.356541D+01 -0.273815D+01
      3  -0.587845D+01  0.793079D+01 -0.191852D+01  0.106832D+01 -0.345785D+01
               171 
      1   0.959389D+00
      2   0.167311D+01
      3   0.178335D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.106839D+01  0.127896D+02 -0.172165D+02  0.139423D+02 -0.270435D+02
      2  -0.566674D+01 -0.465579D+01  0.792524D+01 -0.443693D+01  0.803699D+01
      3   0.673514D+01 -0.813379D+01  0.929124D+01 -0.950541D+01  0.190065D+02
      4   0.167045D+02 -0.238536D+02  0.290049D+01 -0.330509D+02 -0.102008D+02
      5  -0.182985D+02 -0.566678D+00  0.594829D+01 -0.118365D+01 -0.759327D+01
      6   0.647562D+00  0.267854D+01 -0.786882D+00  0.227859D+01  0.395663D+01
                 6             7             8             9            10 
      1  -0.145175D+00 -0.220898D+02  0.279293D+01  0.126144D+02 -0.930490D+01
      2   0.110836D+01  0.702640D+01  0.177677D+00  0.894435D+01 -0.196689D+00
      3  -0.963187D+00  0.150634D+02 -0.297061D+01 -0.215587D+02  0.950159D+01
      4  -0.965930D+01  0.584201D+01 -0.127674D+02  0.235407D+01 -0.612538D+01
      5   0.107498D+01  0.214830D+01  0.143911D+01  0.308330D+02  0.151347D+02
      6   0.132716D+01  0.413219D+00  0.175942D+01 -0.715152D+01 -0.513448D+01
                11            12            13            14            15 
      1  -0.133590D+01  0.128721D+02 -0.217882D+01  0.194329D+02  0.380680D+01
      2  -0.130592D+01 -0.886602D+01  0.933450D-01 -0.231114D+02 -0.577745D+01
      3   0.264183D+01 -0.400610D+01  0.208548D+01  0.367857D+01  0.197065D+01
      4   0.890677D+01 -0.263236D+01  0.184915D+02  0.356062D+01  0.471611D+01
      5   0.254407D+00 -0.171593D+01  0.436440D+00  0.487390D+01  0.360514D+00
      6   0.205030D+00  0.279871D+00  0.707894D+00 -0.955536D+01  0.326092D+01
                16            17            18            19            20 
      1   0.167531D+02  0.131447D+01  0.197247D+01 -0.344230D+01 -0.272575D+01
      2  -0.811961D+01 -0.433767D+01 -0.238192D+01  0.754692D+01 -0.774222D+00
      3  -0.863352D+01  0.302320D+01  0.409443D+00 -0.410462D+01  0.349997D+01
      4  -0.540868D+01  0.517485D+01  0.112989D+01 -0.704268D+00 -0.205479D+01
      5  -0.806284D+00  0.147785D+01 -0.121047D+02 -0.531128D+01 -0.910502D+00
      6  -0.692777D+00 -0.207508D+01  0.369597D+01  0.201751D+01 -0.216732D+00
                21            22            23            24            25 
      1  -0.229549D+01  0.258827D+01 -0.100010D+01  0.140157D+01 -0.848725D+01
      2   0.383257D+01 -0.441119D+01  0.652677D+00  0.367416D+01  0.394000D+01
      3  -0.153709D+01  0.182292D+01  0.347425D+00 -0.507573D+01  0.454725D+01
      4   0.682650D+00 -0.127527D+02  0.256749D+01 -0.185038D+01  0.407242D+01
      5   0.165293D+01  0.810115D+00  0.822420D+00  0.393747D+01  0.233970D+01
      6   0.258049D-01 -0.299354D+01  0.358526D+01 -0.705820D+01 -0.122702D+01
                26            27            28            29            30 
      1   0.574828D+01  0.891567D+01 -0.668323D+01  0.976806D+01  0.119440D+00
      2  -0.148006D+01  0.172106D+02  0.297681D+01 -0.658636D+01 -0.383391D+01
      3  -0.426823D+01 -0.261262D+02  0.370641D+01 -0.318169D+01  0.371447D+01
      4  -0.842199D-01 -0.172587D+01  0.940547D+01 -0.842828D+01 -0.835076D+01
      5  -0.595455D+00  0.542188D+00  0.679070D+01 -0.768219D+01 -0.125933D+02
      6   0.463328D+01 -0.107111D+01 -0.532440D+01  0.103467D+01 -0.218173D+01
                31            32            33            34            35 
      1   0.170128D+02  0.525390D+01 -0.425638D+01  0.169758D+02 -0.194324D+01
      2  -0.936769D+01 -0.692393D+01  0.863321D+01 -0.942845D+01 -0.383086D+01
      3  -0.764515D+01  0.167003D+01 -0.437683D+01 -0.754733D+01  0.577410D+01
      4  -0.301902D+01 -0.174427D+01 -0.115928D+01 -0.972643D+01  0.780613D+01
      5  -0.169176D+02 -0.542800D+00 -0.329955D+01 -0.119541D+02  0.911977D+00
      6  -0.308455D+01 -0.696245D+01 -0.221839D+01 -0.760885D+00 -0.221482D+01
                36            37            38            39            40 
      1  -0.748250D+01 -0.187846D+02 -0.930124D+01  0.720395D+01 -0.885890D+01
      2   0.560323D+01  0.373811D+01  0.348364D+01 -0.431868D+01  0.382909D+01
      3   0.187927D+01  0.150465D+02  0.581760D+01 -0.288527D+01  0.502981D+01
      4   0.368729D+01 -0.166284D+02 -0.497654D+01  0.637618D+01  0.407145D+01
      5   0.149800D+02  0.767907D+01  0.375760D+01  0.770541D+01  0.817946D+01
      6  -0.562402D+01  0.532490D+01  0.242003D+01  0.141064D+01  0.592601D+01
                41            42            43            44            45 
      1  -0.167565D+02 -0.121674D+01  0.126934D+02  0.158054D+01 -0.407444D+01
      2   0.214371D+02  0.486067D+00 -0.491521D+01  0.240974D+01 -0.391437D+01
      3  -0.468060D+01  0.730675D+00 -0.777818D+01 -0.399028D+01  0.798881D+01
      4   0.137906D+02  0.778611D+01  0.145467D+02  0.114869D+02  0.524415D+01
      5   0.796543D+01  0.766335D+01  0.124557D+02  0.823248D+01  0.148177D+02
      6   0.891135D+01  0.947173D+01  0.344972D+01  0.100674D+02  0.901787D+01
                46            47            48            49            50 
      1   0.122644D+02  0.652108D+01 -0.115515D+02  0.524057D+01 -0.398738D+01
      2  -0.773864D+00 -0.231205D-01  0.299642D+01  0.384730D+00  0.980723D+01
      3  -0.114905D+02 -0.649796D+01  0.855513D+01 -0.562530D+01 -0.581985D+01
      4   0.621551D+01 -0.141336D+02  0.904312D+01 -0.159875D+02 -0.187934D+01
      5  -0.615564D+01  0.102276D+02 -0.117154D+02  0.829017D+01 -0.185979D+02
      6   0.162168D+02 -0.112635D+02 -0.985268D-01 -0.128568D+02 -0.489623D+01
                51            52            53            54            55 
      1   0.895829D+00 -0.101253D+02 -0.488858D+00 -0.694271D+01  0.983265D+00
      2   0.384469D+01  0.243443D+01  0.216967D+01 -0.567399D+01 -0.333680D+01
      3  -0.474052D+01  0.769083D+01 -0.168082D+01  0.126167D+02  0.235353D+01
      4  -0.119571D+02  0.712600D+01 -0.839201D+01 -0.116281D-01 -0.185387D+02
      5   0.798814D+00 -0.121161D+02 -0.599056D+00  0.993757D+01  0.596816D+01
      6  -0.145114D+02  0.854538D-01 -0.104489D+02 -0.252095D+00 -0.165070D+01
                56            57            58            59            60 
      1  -0.185709D+00  0.152812D+01 -0.225437D+01 -0.208357D+02  0.365145D+01
      2  -0.408162D+01 -0.123495D+01  0.543015D+00  0.306175D+02 -0.657508D+01
      3   0.426733D+01 -0.293175D+00  0.171135D+01 -0.978184D+01  0.292363D+01
      4  -0.228018D+01 -0.217688D+01  0.315937D+01 -0.437453D+01  0.733259D+00
      5  -0.122147D+01  0.380783D+01 -0.608978D-01 -0.165000D+00 -0.309517D+01
      6  -0.749873D-01  0.374497D+01  0.116427D+01 -0.648153D+01  0.648660D+01
                61            62            63            64            65 
      1   0.867811D+00  0.668721D+01 -0.184349D+00  0.344880D+02 -0.908159D+01
      2  -0.312910D+01 -0.470983D+01 -0.626511D+01 -0.185106D+02  0.318190D+01
      3   0.226129D+01 -0.197738D+01  0.644946D+01 -0.159774D+02  0.589969D+01
      4  -0.300281D+01  0.380834D+00  0.285488D+01 -0.148294D+02  0.170477D+02
      5   0.300301D+01  0.204824D-01  0.149164D+01 -0.171633D+02  0.764953D+01
      6   0.249008D+01  0.399088D+00 -0.176166D+02  0.227058D+01 -0.316059D+01
                66            67            68            69            70 
      1  -0.869796D+01 -0.149214D+02  0.701997D+00  0.131535D+01 -0.159167D+02
      2   0.934158D+01  0.621238D+01  0.524262D+01 -0.248432D+01  0.105822D+02
      3  -0.643616D+00  0.870898D+01 -0.594462D+01  0.116897D+01  0.533453D+01
      4   0.774620D+01  0.155037D+02 -0.166987D+02 -0.898287D+01  0.497631D+01
      5   0.192411D+02  0.787792D+01 -0.912994D+01 -0.659967D+01  0.221526D+02
      6  -0.184790D+01 -0.430921D+01  0.348121D+01  0.772397D+01 -0.334270D+01
                71            72            73            74            75 
      1  -0.580372D+00  0.233538D+01  0.101946D+01  0.466079D+00 -0.468268D-01
      2   0.479110D+00 -0.146599D+02 -0.513857D+01  0.196895D+00  0.181881D+00
      3   0.101262D+00  0.123245D+02  0.411911D+01 -0.662973D+00 -0.135054D+00
      4  -0.132215D+02 -0.106054D+02 -0.468165D+00  0.179632D+01 -0.373361D+00
      5  -0.878048D+01 -0.296197D+02 -0.209829D-01  0.407302D+00  0.652532D+01
      6   0.768009D+01  0.414783D+01 -0.387617D+00  0.483222D+00 -0.509870D+00
                76            77            78            79            80 
      1   0.875958D+00 -0.358636D+01 -0.109359D+01  0.122832D+01  0.276439D+00
      2   0.252720D+00 -0.119945D+01 -0.291923D+01  0.347204D+00 -0.460582D+01
      3  -0.112868D+01  0.478581D+01  0.401282D+01 -0.157552D+01  0.432938D+01
      4   0.251841D+01 -0.224311D+00  0.411262D+00  0.213062D-01 -0.138795D+00
      5   0.408624D+00 -0.183824D+00 -0.349128D+00  0.533817D+01 -0.893802D-01
      6   0.710492D+00  0.667463D+00  0.750093D+01  0.829760D+00  0.481263D+01
                81            82            83            84            85 
      1  -0.200609D+02 -0.852115D+00 -0.415251D+01 -0.254304D+01 -0.558755D+01
      2  -0.199663D+02  0.427109D+01  0.543381D+01  0.222970D+01  0.577098D+01
      3   0.400272D+02 -0.341897D+01 -0.128130D+01  0.313340D+00 -0.183436D+00
      4   0.892964D+00  0.916545D+00  0.387181D+01  0.908826D+00  0.258181D+01
      5   0.301647D+00 -0.171889D+01  0.784872D+00  0.101648D+01  0.124514D+01
      6  -0.151718D+01  0.181769D+01  0.171781D+01  0.817067D+00  0.116146D+01
                86            87            88            89            90 
      1  -0.199691D+02 -0.271241D+01 -0.393679D+01 -0.418495D+01 -0.512018D+01
      2   0.314899D+02  0.576787D+01  0.253554D+01  0.443708D+01  0.333350D+01
      3  -0.115208D+02 -0.305546D+01  0.140126D+01 -0.252137D+00  0.178669D+01
      4  -0.102087D+02 -0.214220D+01  0.436306D+00 -0.242618D+01 -0.168463D+01
      5  -0.247478D+01 -0.344895D+01  0.222409D+01 -0.225095D+01 -0.200726D+00
      6   0.854482D+01  0.677775D+01  0.139163D+01  0.900283D+01  0.451998D+01
                91            92            93            94            95 
      1   0.387577D+02  0.153710D+02 -0.208832D+01  0.650502D+01  0.518432D+01
      2  -0.134281D+02 -0.273493D+01 -0.122048D+00  0.105936D+01  0.267044D+01
      3  -0.253296D+02 -0.126360D+02  0.221037D+01 -0.756438D+01 -0.785476D+01
      4   0.294257D+02  0.194807D+02 -0.503137D+00  0.140040D+02  0.133446D+02
      5   0.316552D+01  0.194212D+01  0.528125D+01  0.715995D+00  0.110046D+01
      6  -0.903872D+00  0.322758D+00  0.241956D+01  0.453694D+00  0.484770D+00
                96            97            98            99           100 
      1  -0.636065D+00 -0.116745D+02 -0.556308D+01  0.351153D+01  0.967087D-01
      2  -0.271274D+00  0.348392D+01  0.610549D+00 -0.140051D+01  0.329725D+00
      3   0.907339D+00  0.819057D+01  0.495253D+01 -0.211102D+01 -0.426433D+00
      4  -0.290796D+00 -0.106514D+02 -0.730438D+01  0.452569D+01 -0.151601D+01
      5   0.228468D+01  0.568759D+01  0.314228D+01 -0.175168D+01 -0.807122D+00
      6   0.198495D+01  0.355071D+01  0.261069D+01 -0.143833D+01  0.277214D+01
               101           102           103           104           105 
      1   0.341376D+01  0.178831D+00  0.106958D+01 -0.421222D+01 -0.290351D+01
      2  -0.522057D+01 -0.149625D+01 -0.155861D+01  0.678374D+01  0.405960D+01
      3   0.180681D+01  0.131742D+01  0.489026D+00 -0.257152D+01 -0.115609D+01
      4   0.293214D+01  0.203159D+01  0.260000D+01 -0.169064D+01 -0.761967D+00
      5   0.348511D+00  0.790005D+00  0.476783D+00 -0.669294D+00  0.184352D+00
      6  -0.104488D+00 -0.598644D+01 -0.723361D+00  0.407351D+01  0.881844D+01
               106           107           108           109           110 
      1   0.724213D+00 -0.744765D+01 -0.857553D+01  0.570797D+01 -0.313273D+01
      2  -0.888111D-01  0.889933D+01  0.601887D+01  0.423960D+01  0.101132D+02
      3  -0.635402D+00 -0.145168D+01  0.255666D+01 -0.994757D+01 -0.698045D+01
      4   0.406602D+01 -0.873810D+00 -0.385846D+01  0.212502D+02  0.144690D+02
      5   0.127435D+01 -0.740205D+00 -0.307647D+00 -0.425580D+01 -0.911670D+00
      6  -0.470498D+01  0.109581D+02  0.168657D+02 -0.214749D+01 -0.894698D+00
               111           112           113           114           115 
      1  -0.115412D+01  0.281872D+00 -0.129681D+01  0.383850D+00 -0.161540D+01
      2   0.106431D+01  0.450465D+01  0.676224D+01 -0.565057D+00  0.226844D+01
      3   0.898092D-01 -0.478652D+01 -0.546543D+01  0.181207D+00 -0.653048D+00
      4  -0.113940D+01  0.121890D+02  0.857006D+01  0.116220D+01 -0.951433D+00
      5   0.251212D+01 -0.296770D+00 -0.530296D+00  0.147251D+01  0.347073D+01
      6   0.302424D+01  0.521924D+00 -0.670279D+00  0.289716D+01  0.172062D+01
               116           117           118           119           120 
      1   0.696767D+00 -0.821981D+00  0.224108D+01  0.216737D+01  0.196267D+01
      2   0.267336D+00  0.752757D+00 -0.324027D+01 -0.245940D+01 -0.311729D+01
      3  -0.964103D+00  0.692240D-01  0.999187D+00  0.292026D+00  0.115461D+01
      4   0.864706D+00  0.201489D+01  0.357389D+01  0.674352D+01  0.143958D+01
      5   0.980605D+00 -0.104705D+01  0.604899D+01  0.409975D+01  0.775988D+01
      6   0.385665D+01 -0.377199D+00  0.203236D+01  0.529361D+01  0.185149D+01
               121           122           123           124           125 
      1   0.334459D+01 -0.291246D+01 -0.480864D+01  0.613287D+00 -0.286702D+01
      2  -0.397087D+01 -0.533575D+00 -0.667553D+01 -0.207704D+01 -0.346325D+01
      3   0.626284D+00  0.344604D+01  0.114842D+02  0.146375D+01  0.633026D+01
      4   0.645319D+01  0.133890D+02  0.680164D+01  0.691653D+00  0.471224D+01
      5   0.722126D+01  0.105133D+02  0.106087D+02  0.586757D+01  0.565131D+01
      6   0.584419D+01  0.182351D+02  0.103841D+02  0.226833D+01  0.967370D+01
               126           127           128           129           130 
      1  -0.400332D+01 -0.932050D+01 -0.534044D+01  0.128714D+02 -0.407984D+01
      2  -0.418363D+01  0.245324D+00  0.209556D+01  0.249272D+01  0.222023D+01
      3   0.818695D+01  0.907517D+01  0.324487D+01 -0.153641D+02  0.185960D+01
      4   0.405607D+01  0.564286D+01  0.330850D+01 -0.358729D+01  0.426939D+01
      5   0.625143D+01 -0.125035D+02 -0.372273D+01  0.568683D+01 -0.363296D+01
      6   0.651461D+01 -0.722145D+01 -0.555440D+01  0.717818D+01 -0.336047D+01
               131           132           133           134           135 
      1  -0.432503D+01  0.397464D+01  0.911138D+01  0.356144D+01 -0.113787D+02
      2   0.187364D+01 -0.120850D+01  0.167805D+01 -0.430619D+00 -0.416680D+01
      3   0.245138D+01 -0.276614D+01 -0.107894D+02 -0.313082D+01  0.155454D+02
      4   0.170946D+01  0.452496D+00 -0.254421D+01  0.138875D-01  0.217257D+01
      5   0.162628D+00  0.657048D+00  0.798036D+01  0.144953D+01 -0.497374D+01
      6  -0.403639D+01  0.721771D+01  0.442185D+01  0.602045D+01 -0.615297D+01
               136           137           138           139           140 
      1   0.114496D+02 -0.427107D+01  0.226968D+01 -0.469248D+01 -0.203076D+01
      2  -0.750129D+01  0.574804D+00 -0.580873D+01  0.330794D+00  0.526231D+01
      3  -0.394828D+01  0.369627D+01  0.353906D+01  0.436168D+01 -0.323155D+01
      4  -0.157768D+02  0.142847D+02 -0.878619D+01  0.150947D+02 -0.157643D+02
      5   0.198060D+02 -0.120839D+02  0.166789D+02 -0.128857D+02  0.133233D+02
      6  -0.116135D+02  0.114544D+02 -0.889001D+01  0.111314D+02 -0.149609D+02
               141           142           143           144           145 
      1   0.331469D+01  0.144315D+01  0.228627D+01 -0.192240D+01  0.680730D+00
      2   0.949380D+00 -0.430663D+01  0.115493D+01 -0.436447D+01 -0.260473D+01
      3  -0.426407D+01  0.286348D+01 -0.344120D+01  0.628687D+01  0.192400D+01
      4   0.957111D+01 -0.547430D+01  0.615271D+01 -0.737936D+01 -0.140634D+01
      5  -0.112691D+02  0.122206D+02 -0.791518D+01  0.115864D+02 -0.351440D+01
      6   0.132796D+02 -0.658811D+01  0.983776D+01 -0.967933D+01  0.767479D+00
               146           147           148           149           150 
      1  -0.147708D+01 -0.492856D+01 -0.191366D+01  0.666817D+00 -0.124714D+01
      2   0.502526D+00  0.261889D+01  0.582988D+00 -0.123681D+01  0.667744D+00
      3   0.974553D+00  0.230967D+01  0.133067D+01  0.569997D+00  0.579395D+00
      4   0.277250D+01  0.338239D+00  0.543247D+01 -0.105861D+00 -0.419081D+01
      5   0.132775D+00  0.630534D+01  0.692138D+00 -0.391575D+01 -0.133117D+01
      6   0.862310D-01  0.481697D+00 -0.140505D+01  0.138973D+01  0.675189D+01
               151           152           153           154           155 
      1  -0.750893D+01 -0.998978D+00 -0.127485D+02  0.160809D+02  0.927257D+01
      2   0.834834D+01  0.120877D+00 -0.201925D+02 -0.535846D+01 -0.303659D+01
      3  -0.839409D+00  0.878100D+00  0.329410D+02 -0.107224D+02 -0.623598D+01
      4   0.107047D+01 -0.533350D+01 -0.241368D+01  0.978680D+01  0.155783D+02
      5   0.153856D+02 -0.170558D+01 -0.455984D+02  0.127373D+01  0.314097D+00
      6  -0.202158D+01  0.636182D+01  0.815136D+01 -0.111007D+01 -0.223957D+01
               156           157           158           159           160 
      1   0.278865D+01  0.182448D+02  0.111135D+02  0.226736D+00  0.869214D+01
      2  -0.735210D+00 -0.785731D+01  0.286017D+01  0.143825D+01 -0.375200D+01
      3  -0.205344D+01 -0.103875D+02 -0.139737D+02 -0.166498D+01 -0.494014D+01
      4   0.114368D+01  0.190000D+02  0.296433D+02  0.302055D+01  0.259909D+01
      5   0.311585D+01 -0.205653D+01  0.301139D+01  0.760421D+01  0.391482D+01
      6   0.444083D+00 -0.160470D+01 -0.483911D+01  0.174776D+01  0.121857D+01
               161           162           163           164           165 
      1   0.179619D+01  0.615935D+00  0.435169D+02 -0.182367D+02  0.519276D+01
      2   0.306232D+00 -0.184675D+01 -0.165068D+02  0.503183D+01 -0.138284D+01
      3  -0.210243D+01  0.123082D+01 -0.270102D+02  0.132049D+02 -0.380992D+01
      4   0.642918D+01  0.447935D+01 -0.265315D+02  0.214095D+02 -0.275980D+01
      5   0.503694D+01  0.373747D+00  0.123140D+01 -0.518000D+00  0.685586D+01
      6   0.172675D+01  0.112409D+01  0.162652D+01 -0.218729D+01 -0.137624D+01
               166           167           168           169           170 
      1  -0.248833D+02  0.143531D+02 -0.148550D+01  0.140194D+02 -0.420065D+01
      2   0.634706D+01  0.200759D+01 -0.108440D+01 -0.506032D+01  0.291326D+00
      3   0.185362D+02 -0.163607D+02  0.256990D+01 -0.895908D+01  0.390932D+01
      4   0.278142D+02 -0.232870D+02  0.368888D+01 -0.768901D+01  0.752033D+01
      5   0.680020D+00  0.203003D+01 -0.725381D+01  0.778624D+01 -0.526971D+01
      6  -0.221332D+01  0.137383D+01  0.301606D+01 -0.210530D+01  0.221240D+01
               171 
      1   0.344426D+01
      2  -0.275275D+01
      3  -0.691506D+00
      4  -0.573274D+01
      5   0.183727D+01
      6  -0.855690D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:41:20 2021, MaxMem=  5368709120 cpu:            3074.4 elap:             385.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20201 -19.14621 -14.31698 -10.33036 -10.23332
 Alpha  occ. eigenvalues --  -10.20424 -10.18790 -10.18222  -1.11445  -1.02420
 Alpha  occ. eigenvalues --   -0.89549  -0.79770  -0.72138  -0.69222  -0.61947
 Alpha  occ. eigenvalues --   -0.57509  -0.53447  -0.50056  -0.48973  -0.47103
 Alpha  occ. eigenvalues --   -0.45466  -0.44714  -0.42222  -0.42054  -0.39625
 Alpha  occ. eigenvalues --   -0.38716  -0.36295  -0.35641  -0.34885  -0.33753
 Alpha  occ. eigenvalues --   -0.29577  -0.24983
 Alpha virt. eigenvalues --   -0.01352   0.00277   0.01465   0.03966   0.04873
 Alpha virt. eigenvalues --    0.06084   0.07012   0.08015   0.08333   0.09584
 Alpha virt. eigenvalues --    0.10129   0.11320   0.12004   0.12386   0.13747
 Alpha virt. eigenvalues --    0.14544   0.14578   0.15270   0.16474   0.16793
 Alpha virt. eigenvalues --    0.17561   0.18286   0.19646   0.20093   0.20724
 Alpha virt. eigenvalues --    0.21369   0.22612   0.23187   0.24223   0.24837
 Alpha virt. eigenvalues --    0.24922   0.26732   0.27552   0.28874   0.29098
 Alpha virt. eigenvalues --    0.29520   0.30470   0.31253   0.31509   0.31986
 Alpha virt. eigenvalues --    0.32869   0.33766   0.34129   0.34690   0.35153
 Alpha virt. eigenvalues --    0.35868   0.36343   0.37386   0.37743   0.38471
 Alpha virt. eigenvalues --    0.38593   0.38949   0.39870   0.40751   0.41415
 Alpha virt. eigenvalues --    0.42107   0.42562   0.43420   0.44074   0.44324
 Alpha virt. eigenvalues --    0.45525   0.45823   0.46772   0.47379   0.47830
 Alpha virt. eigenvalues --    0.49311   0.49904   0.50513   0.51260   0.52068
 Alpha virt. eigenvalues --    0.52396   0.52996   0.53644   0.53965   0.54452
 Alpha virt. eigenvalues --    0.55760   0.56169   0.56716   0.57945   0.59031
 Alpha virt. eigenvalues --    0.59245   0.59948   0.60812   0.61579   0.61785
 Alpha virt. eigenvalues --    0.63928   0.64021   0.66014   0.66328   0.67420
 Alpha virt. eigenvalues --    0.68674   0.70177   0.70561   0.71550   0.72408
 Alpha virt. eigenvalues --    0.72799   0.74176   0.74737   0.76958   0.78482
 Alpha virt. eigenvalues --    0.79115   0.80140   0.81052   0.82461   0.85437
 Alpha virt. eigenvalues --    0.86970   0.88159   0.91930   0.93026   0.94288
 Alpha virt. eigenvalues --    0.97404   0.97446   1.01290   1.02038   1.03400
 Alpha virt. eigenvalues --    1.04417   1.04852   1.06256   1.06700   1.07347
 Alpha virt. eigenvalues --    1.09468   1.15485   1.15771   1.16677   1.19793
 Alpha virt. eigenvalues --    1.22102   1.23184   1.24187   1.25927   1.29863
 Alpha virt. eigenvalues --    1.30467   1.34116   1.36150   1.38203   1.39017
 Alpha virt. eigenvalues --    1.41039   1.45651   1.47426   1.50181   1.51806
 Alpha virt. eigenvalues --    1.55995   1.57215   1.59783   1.61316   1.63385
 Alpha virt. eigenvalues --    1.66034   1.67878   1.70616   1.72696   1.74755
 Alpha virt. eigenvalues --    1.77633   1.78668   1.81051   1.81716   1.83842
 Alpha virt. eigenvalues --    1.84593   1.85345   1.86582   1.86926   1.90882
 Alpha virt. eigenvalues --    1.91618   1.94663   1.95188   1.97973   1.98433
 Alpha virt. eigenvalues --    2.01332   2.02510   2.03833   2.04300   2.06749
 Alpha virt. eigenvalues --    2.08134   2.10033   2.11530   2.13795   2.16503
 Alpha virt. eigenvalues --    2.17525   2.19091   2.21228   2.23732   2.26437
 Alpha virt. eigenvalues --    2.27528   2.31558   2.31753   2.34567   2.35794
 Alpha virt. eigenvalues --    2.40221   2.41480   2.42228   2.45397   2.49906
 Alpha virt. eigenvalues --    2.52798   2.56686   2.59304   2.61687   2.66089
 Alpha virt. eigenvalues --    2.66177   2.67877   2.68703   2.78264   2.85337
 Alpha virt. eigenvalues --    2.87123   2.90236   2.94828   2.97550   2.98503
 Alpha virt. eigenvalues --    2.99635   3.01018   3.05408   3.06912   3.12083
 Alpha virt. eigenvalues --    3.14599   3.16252   3.17612   3.20418   3.23188
 Alpha virt. eigenvalues --    3.26767   3.38331   3.43649   3.60514   3.65703
 Alpha virt. eigenvalues --    3.82942   3.95281
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.217792   0.269663  -0.033261   0.025859   0.008542  -0.035228
     2  C    0.269663   6.066167   0.035259   0.118247  -0.051388   0.405272
     3  C   -0.033261   0.035259   5.863570  -0.404335  -0.051374   0.047066
     4  C    0.025859   0.118247  -0.404335   5.655986   0.031812  -0.105089
     5  O    0.008542  -0.051388  -0.051374   0.031812   8.299227   0.013284
     6  C   -0.035228   0.405272   0.047066  -0.105089   0.013284   4.090210
     7  N    0.024900   0.167813  -0.727314   0.415733  -0.003033  -0.061914
     8  O    0.001097  -0.059193   0.107483   0.025304  -0.003505   0.010178
     9  H   -0.098156  -0.121675   0.430490  -0.366209  -0.025069   0.053745
    10  H   -0.067068   0.283727  -0.083322  -0.004365  -0.040306  -0.034560
    11  H   -0.001004   0.008478   0.002134   0.128659   0.144792  -0.004341
    12  H   -0.005807  -0.093389   0.348593  -0.159572   0.001376   0.021389
    13  H   -0.018805  -0.086909   0.202770  -0.028317   0.002357   0.010093
    14  H   -0.009536   0.165888  -0.028611  -0.014190   0.000039   0.139048
    15  H    0.015334   0.068100  -0.070927   0.021347  -0.001335   0.254313
    16  H   -0.014088   0.110188   0.040907   0.000686   0.003666   0.079396
    17  H    0.364677  -0.012618  -0.024613   0.008875   0.002864   0.006536
    18  H    0.011243   0.223945  -0.047527   0.008798  -0.002437  -0.022860
    19  H    0.098044   0.171526   0.036070  -0.010459  -0.000009  -0.020965
               7          8          9         10         11         12
     1  C    0.024900   0.001097  -0.098156  -0.067068  -0.001004  -0.005807
     2  C    0.167813  -0.059193  -0.121675   0.283727   0.008478  -0.093389
     3  C   -0.727314   0.107483   0.430490  -0.083322   0.002134   0.348593
     4  C    0.415733   0.025304  -0.366209  -0.004365   0.128659  -0.159572
     5  O   -0.003033  -0.003505  -0.025069  -0.040306   0.144792   0.001376
     6  C   -0.061914   0.010178   0.053745  -0.034560  -0.004341   0.021389
     7  N    9.342453  -0.245039  -0.614142   0.023523   0.009900  -0.632251
     8  O   -0.245039   8.503534   0.075909   0.001639  -0.066795   0.100499
     9  H   -0.614142   0.075909   1.669696   0.012409  -0.010858   0.076224
    10  H    0.023523   0.001639   0.012409   1.151143   0.003648  -0.005634
    11  H    0.009900  -0.066795  -0.010858   0.003648   0.627839  -0.000748
    12  H   -0.632251   0.100499   0.076224  -0.005634  -0.000748   1.220539
    13  H   -0.742721   0.047887   0.183870  -0.005297  -0.000873   0.142308
    14  H   -0.004766  -0.015409  -0.004803  -0.002711   0.000303   0.028871
    15  H   -0.008260   0.008915   0.007607  -0.012760  -0.002378  -0.006694
    16  H    0.003928   0.003972  -0.003497   0.037499  -0.000391  -0.000950
    17  H    0.021248  -0.001212  -0.049213  -0.016329   0.000061  -0.000342
    18  H   -0.009413   0.000228   0.015315   0.006169   0.000049  -0.003837
    19  H   -0.011737   0.001751   0.019127   0.026165  -0.000127   0.002236
              13         14         15         16         17         18
     1  C   -0.018805  -0.009536   0.015334  -0.014088   0.364677   0.011243
     2  C   -0.086909   0.165888   0.068100   0.110188  -0.012618   0.223945
     3  C    0.202770  -0.028611  -0.070927   0.040907  -0.024613  -0.047527
     4  C   -0.028317  -0.014190   0.021347   0.000686   0.008875   0.008798
     5  O    0.002357   0.000039  -0.001335   0.003666   0.002864  -0.002437
     6  C    0.010093   0.139048   0.254313   0.079396   0.006536  -0.022860
     7  N   -0.742721  -0.004766  -0.008260   0.003928   0.021248  -0.009413
     8  O    0.047887  -0.015409   0.008915   0.003972  -0.001212   0.000228
     9  H    0.183870  -0.004803   0.007607  -0.003497  -0.049213   0.015315
    10  H   -0.005297  -0.002711  -0.012760   0.037499  -0.016329   0.006169
    11  H   -0.000873   0.000303  -0.002378  -0.000391   0.000061   0.000049
    12  H    0.142308   0.028871  -0.006694  -0.000950  -0.000342  -0.003837
    13  H    1.292279   0.006188   0.005429  -0.001463  -0.014742   0.049147
    14  H    0.006188   0.801883  -0.019214  -0.042326  -0.001978   0.024961
    15  H    0.005429  -0.019214   0.947999  -0.070363  -0.004212  -0.002455
    16  H   -0.001463  -0.042326  -0.070363   0.941275   0.010429  -0.033262
    17  H   -0.014742  -0.001978  -0.004212   0.010429   0.969756  -0.105496
    18  H    0.049147   0.024961  -0.002455  -0.033262  -0.105496   1.047613
    19  H    0.002184  -0.019970   0.004462   0.025317  -0.101485  -0.052054
              19
     1  C    0.098044
     2  C    0.171526
     3  C    0.036070
     4  C   -0.010459
     5  O   -0.000009
     6  C   -0.020965
     7  N   -0.011737
     8  O    0.001751
     9  H    0.019127
    10  H    0.026165
    11  H   -0.000127
    12  H    0.002236
    13  H    0.002184
    14  H   -0.019970
    15  H    0.004462
    16  H    0.025317
    17  H   -0.101485
    18  H   -0.052054
    19  H    0.962868
 Mulliken charges:
               1
     1  C    1.245802
     2  C   -1.669101
     3  C    0.356942
     4  C    0.651231
     5  O   -0.329502
     6  C    1.154428
     7  N    0.051093
     8  O   -0.497242
     9  H   -0.250771
    10  H   -0.273568
    11  H    0.161652
    12  H   -0.032808
    13  H   -0.045383
    14  H   -0.003669
    15  H   -0.134907
    16  H   -0.090921
    17  H   -0.052205
    18  H   -0.108126
    19  H   -0.132945
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.952526
     2  C   -1.942669
     3  C    0.106172
     4  C    0.651231
     5  O   -0.167850
     6  C    0.924931
     7  N   -0.027099
     8  O   -0.497242
 Electronic spatial extent (au):  <R**2>=           1045.7405
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.6310    Y=             -1.6974    Z=             -0.1640  Tot=              2.3597
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.2304   YY=            -51.4880   ZZ=            -52.3983
   XY=              5.8527   XZ=              1.7082   YZ=              0.4870
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.4752   YY=             -0.7824   ZZ=             -1.6928
   XY=              5.8527   XZ=              1.7082   YZ=              0.4870
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -22.4387  YYY=             -6.3222  ZZZ=             -2.5536  XYY=             -2.3123
  XXY=            -13.9489  XXZ=             -7.0476  XZZ=             -0.1477  YZZ=             -0.0944
  YYZ=              7.9295  XYZ=              1.6333
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -746.7630 YYYY=           -321.4994 ZZZZ=           -273.7565 XXXY=             53.6560
 XXXZ=             22.4099 YYYX=             27.4137 YYYZ=             19.8035 ZZZX=             -2.9080
 ZZZY=              4.9437 XXYY=           -158.5234 XXZZ=           -187.2235 YYZZ=           -102.3522
 XXYZ=             -4.6895 YYXZ=             -2.5326 ZZXY=              1.6103
 N-N= 4.086526817579D+02 E-N=-1.754011760377D+03  KE= 3.980064969006D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:41:20 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.04591913D-01-6.48839473D-01-5.52847422D-02
 Polarizability= 8.22684465D+01 7.08672778D-01 7.16520698D+01
                -2.79312531D+00 2.52988296D+00 6.99314743D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3249    1.3255        0.1987    0.1983
 2     -1.3249   -1.3255       -1.1500   -1.1507       -5.7493   -5.7494
 3     -0.1987   -0.1983        6.7564    6.7571        1.1511    1.1507
 4      1.1500    1.1507       -0.0000    0.0000       -0.1976   -0.1983
 5     -1.0072   -1.0078        0.1976    0.1983        1.3254    1.3255
 6     -1.1511   -1.1507       -1.3254   -1.3255       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.9766   -3.9766        0.5948    0.5948
 2      3.4521    3.4521        0.0000    0.0000        0.5948    0.5948
 3      3.4521    3.4521       -3.9766   -3.9766        0.0000    0.0000
 4     -3.9766   -3.9766       -3.4521   -3.4521      -17.2481  -17.2481
 5     -0.5948   -0.5948       20.2714   20.2714        3.4521    3.4521
 6     -3.0233   -3.0233        0.5948    0.5948        3.9766    3.9766
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0454    0.0000       -5.2880   -5.3021       -0.7687   -0.7931
 2      5.3480    5.3021        4.6387    4.6027       22.9465   22.9975
 3      0.7511    0.7931      -27.0224  -27.0286       -4.6425   -4.6027
 4     -4.6439   -4.6027       -0.0293    0.0000        0.8082    0.7931
 5      4.0462    4.0311       -0.7588   -0.7931       -5.3107   -5.3021
 6      4.6023    4.6027        5.2663    5.3021        0.0137    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0003    0.0000        7.0174    6.9878       -7.0698   -7.1339
 2     -7.0014   -6.9878        5.1645    5.2600        9.0449    9.0674
 3      7.1994    7.1339       21.1654   21.1676       -5.2478   -5.2600
 4     -5.2549   -5.2600       -0.0008    0.0000        7.1142    7.1339
 5    -30.2324  -30.2350       -7.2323   -7.1339        6.9787    6.9878
 6      5.2480    5.2600       -7.0282   -6.9878       -0.0461    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.2713   -8.3406       19.7369   19.8386        6.7726    6.8137
 2    -15.9132  -15.9647       24.7131   24.7884        6.8175    6.8137
 3    -15.8862  -15.9647       19.7512   19.8386        8.8406    8.8718
 4     -4.9355   -4.9498        7.5674    7.6241       22.0462   22.0929
 5      2.0711    2.0581       37.3013   37.3700       -7.6980   -7.6241
 6    -59.4134  -59.4629       -2.1974   -2.0581        4.9072    4.9498
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0005    0.0007    0.0008    3.6031    6.8614    7.4295
 Low frequencies ---   55.9674   84.3057  177.0238
 Diagonal vibrational polarizability:
       22.7649292      24.8036039      20.1728203
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     55.9657                84.3054               177.0235
 Red. masses --      4.2165                 3.7206                 3.2649
 Frc consts  --      0.0078                 0.0156                 0.0603
 IR Inten    --      0.9726                 0.7299                 1.1156
 RamAct Fr= 1--      0.8109                 0.4916                 0.6466
  Dep-P Fr= 1--      0.7489                 0.7475                 0.6556
  Dep-U Fr= 1--      0.8565                 0.8555                 0.7920
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0011
 Beta2  Fr= 1--      0.1157                 0.0701                 0.0853
 AlphaG Fr= 1--     -0.0001                 0.0001                 0.0007
 Gamma2 Fr= 1--     -0.1794                 0.2671                 0.1890
 Delta2 Fr= 1--     -0.1807                 0.3014                 0.0883
 Raman1 Fr= 1--       3.243                  1.966                  2.586
 ROA1   Fr= 1--     -23.005                 35.289                 20.972
 CID1   Fr= 1--      -7.093                 17.947                  8.109
 Raman2 Fr= 1--       1.389                  0.841                  1.024
 ROA2   Fr= 1--      -2.859                  4.000                  3.830
 CID2   Fr= 1--      -2.059                  4.756                  3.739
 Raman3 Fr= 1--       2.778                  1.682                  2.048
 ROA3   Fr= 1--     -23.005                 35.289                 20.972
 CID3   Fr= 1--      -8.281                 20.977                 10.238
 RC180  Fr= 1--       0.713                  0.711                  0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.13   0.03    -0.06  -0.15  -0.14    -0.04  -0.13   0.01
     2   6     0.00  -0.01  -0.09    -0.02   0.00   0.02    -0.10   0.04  -0.06
     3   6    -0.00   0.02  -0.02     0.00   0.05   0.08    -0.01   0.13  -0.07
     4   6     0.00   0.04   0.02    -0.02   0.01  -0.03     0.06   0.02  -0.00
     5   8     0.10  -0.13   0.24     0.13  -0.08   0.03     0.18  -0.05   0.04
     6   6    -0.09  -0.23  -0.08     0.13   0.09   0.01    -0.20   0.02  -0.05
     7   7     0.03   0.01  -0.00     0.01   0.02   0.21    -0.01   0.12  -0.01
     8   8    -0.08   0.19  -0.13    -0.17   0.06  -0.16     0.08  -0.10   0.09
     9   1    -0.05   0.03  -0.02     0.03   0.14   0.07    -0.02   0.18  -0.07
    10   1     0.06   0.02  -0.25    -0.12   0.01   0.11    -0.20   0.08  -0.07
    11   1     0.09  -0.09   0.24     0.09  -0.09  -0.07     0.26  -0.20   0.13
    12   1    -0.06   0.03  -0.04    -0.12  -0.03   0.17     0.17   0.05   0.08
    13   1     0.05  -0.03   0.09     0.03  -0.01   0.37    -0.02   0.15  -0.17
    14   1    -0.24  -0.24   0.08     0.35   0.06  -0.09     0.03  -0.05  -0.03
    15   1    -0.09  -0.41  -0.18     0.12   0.30   0.10    -0.30   0.27  -0.12
    16   1    -0.03  -0.19  -0.14     0.03  -0.03  -0.01    -0.41  -0.17   0.01
    17   1     0.09   0.35   0.02    -0.17  -0.30  -0.13     0.02  -0.23   0.01
    18   1     0.01   0.08   0.25     0.01  -0.12  -0.33     0.03  -0.14  -0.05
    19   1     0.02   0.07  -0.08    -0.06  -0.13  -0.11    -0.13  -0.18   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    216.1581               221.7042               246.4993
 Red. masses --      1.1650                 1.1832                 1.0428
 Frc consts  --      0.0321                 0.0343                 0.0373
 IR Inten    --     17.5011                16.6063                 4.8632
 RamAct Fr= 1--      0.1964                 0.1606                 0.0928
  Dep-P Fr= 1--      0.2663                 0.3422                 0.6057
  Dep-U Fr= 1--      0.4206                 0.5100                 0.7545
 Alpha2 Fr= 1--      0.0022                 0.0014                 0.0002
 Beta2  Fr= 1--      0.0138                 0.0137                 0.0117
 AlphaG Fr= 1--     -0.0014                 0.0010                 0.0007
 Gamma2 Fr= 1--      0.1362                 0.0558                 0.0701
 Delta2 Fr= 1--      0.0455                 0.0194                -0.0328
 Raman1 Fr= 1--       0.786                  0.642                  0.371
 ROA1   Fr= 1--      14.536                  5.981                  5.680
 CID1   Fr= 1--      18.501                  9.310                 15.302
 Raman2 Fr= 1--       0.165                  0.164                  0.140
 ROA2   Fr= 1--       2.906                  1.185                  1.945
 CID2   Fr= 1--      17.588                  7.237                 13.889
 Raman3 Fr= 1--       0.330                  0.328                  0.280
 ROA3   Fr= 1--      14.536                  5.981                  5.680
 CID3   Fr= 1--      43.992                 18.257                 20.281
 RC180  Fr= 1--      -0.159                  0.020                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.02     0.02   0.04   0.01     0.01   0.00   0.02
     2   6    -0.01   0.00  -0.01     0.01   0.00  -0.03    -0.01   0.01   0.00
     3   6     0.00   0.01  -0.02     0.01  -0.02  -0.03    -0.01  -0.00  -0.01
     4   6     0.02  -0.00  -0.01     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     5   8     0.01  -0.00   0.00    -0.05  -0.00   0.02    -0.01  -0.01  -0.00
     6   6    -0.05   0.06  -0.01    -0.03   0.00  -0.02     0.02   0.02   0.00
     7   7     0.03  -0.00   0.02    -0.00  -0.03   0.02     0.00   0.00  -0.03
     8   8     0.04  -0.01   0.02     0.05   0.02   0.00     0.00  -0.01   0.01
     9   1    -0.00   0.01  -0.02     0.00  -0.01  -0.04    -0.01  -0.03  -0.01
    10   1    -0.02  -0.00   0.01     0.04  -0.01  -0.03    -0.01   0.01   0.00
    11   1     0.02  -0.01   0.03    -0.04   0.03   0.05    -0.01  -0.01   0.01
    12   1    -0.39   0.03  -0.15    -0.37  -0.02  -0.13    -0.20   0.04  -0.12
    13   1     0.08  -0.11   0.50     0.04  -0.10   0.45     0.03  -0.07   0.21
    14   1    -0.45   0.18  -0.03     0.25  -0.08  -0.02     0.31  -0.05  -0.03
    15   1     0.03  -0.30  -0.03    -0.12   0.29  -0.05    -0.04   0.30   0.03
    16   1     0.21   0.35   0.02    -0.25  -0.21   0.01    -0.17  -0.18   0.01
    17   1    -0.04   0.04  -0.02     0.12  -0.26   0.02    -0.07   0.45   0.00
    18   1     0.07  -0.09   0.04    -0.14   0.17  -0.22     0.21  -0.18   0.40
    19   1    -0.06  -0.12  -0.09     0.11   0.24   0.27    -0.11  -0.27  -0.32
                      7                      8                      9
                      A                      A                      A
 Frequencies --    277.7104               296.1279               345.7699
 Red. masses --      2.3911                 3.2290                 3.6382
 Frc consts  --      0.1087                 0.1668                 0.2563
 IR Inten    --      4.8778                 0.9278                 0.2552
 RamAct Fr= 1--      0.4427                 0.4912                 0.6921
  Dep-P Fr= 1--      0.2441                 0.2960                 0.4646
  Dep-U Fr= 1--      0.3924                 0.4568                 0.6344
 Alpha2 Fr= 1--      0.0053                 0.0051                 0.0040
 Beta2  Fr= 1--      0.0289                 0.0374                 0.0732
 AlphaG Fr= 1--     -0.0070                 0.0014                -0.0007
 Gamma2 Fr= 1--     -0.2403                 0.1067                -0.0566
 Delta2 Fr= 1--      0.0228                 0.0488                -0.0899
 Raman1 Fr= 1--       1.771                  1.965                  2.768
 ROA1   Fr= 1--     -22.343                 11.800                 -8.308
 CID1   Fr= 1--     -12.617                  6.006                 -3.001
 Raman2 Fr= 1--       0.347                  0.449                  0.878
 ROA2   Fr= 1--      -5.951                  2.170                 -0.639
 CID2   Fr= 1--     -17.130                  4.835                 -0.727
 Raman3 Fr= 1--       0.695                  0.898                  1.756
 ROA3   Fr= 1--     -22.343                 11.800                 -8.308
 CID3   Fr= 1--     -32.157                 13.147                 -4.730
 RC180  Fr= 1--      -0.215                 -0.086                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03   0.01    -0.17   0.16  -0.08    -0.18   0.06  -0.10
     2   6     0.02  -0.02  -0.08    -0.06  -0.03   0.04    -0.03  -0.03   0.12
     3   6     0.00  -0.04  -0.04    -0.01  -0.04   0.03     0.05  -0.03  -0.01
     4   6    -0.01  -0.03  -0.03    -0.01   0.01   0.03     0.10  -0.01  -0.10
     5   8    -0.09  -0.04   0.04     0.08   0.00  -0.03     0.02  -0.03  -0.01
     6   6    -0.09   0.16  -0.08    -0.08   0.03   0.05    -0.05  -0.05   0.14
     7   7     0.05  -0.10   0.18     0.28  -0.07  -0.05    -0.14  -0.03   0.06
     8   8     0.04   0.02  -0.03    -0.07  -0.06   0.04     0.24   0.10  -0.08
     9   1    -0.01   0.11  -0.06    -0.05  -0.10   0.04     0.23  -0.01  -0.01
    10   1     0.08  -0.06  -0.03     0.01  -0.05   0.06    -0.04  -0.03   0.14
    11   1    -0.09   0.04   0.08     0.09  -0.09  -0.07     0.03   0.03   0.05
    12   1     0.45  -0.29   0.38     0.24   0.09  -0.10    -0.05  -0.17   0.13
    13   1     0.02  -0.04  -0.23     0.36  -0.33   0.07    -0.20   0.18  -0.10
    14   1    -0.11   0.21  -0.21     0.00   0.02   0.01    -0.03  -0.07   0.18
    15   1    -0.13   0.24  -0.12    -0.11   0.14   0.03    -0.07  -0.04   0.10
    16   1    -0.13   0.21   0.09    -0.15  -0.02   0.10    -0.09  -0.09   0.13
    17   1     0.11   0.20   0.00    -0.30   0.14  -0.07    -0.49   0.18  -0.09
    18   1     0.06  -0.02   0.18    -0.29   0.22  -0.14    -0.18   0.06  -0.11
    19   1     0.02  -0.03  -0.06     0.01   0.30  -0.17    -0.03   0.07  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.8302               447.5626               579.5146
 Red. masses --      2.4333                 3.9923                 1.6063
 Frc consts  --      0.2269                 0.4712                 0.3178
 IR Inten    --      1.1885                 7.8298                62.4659
 RamAct Fr= 1--      0.5713                 1.4303                 1.2235
  Dep-P Fr= 1--      0.4418                 0.2375                 0.3396
  Dep-U Fr= 1--      0.6128                 0.3839                 0.5070
 Alpha2 Fr= 1--      0.0036                 0.0176                 0.0111
 Beta2  Fr= 1--      0.0584                 0.0915                 0.1034
 AlphaG Fr= 1--     -0.0108                 0.0066                -0.0034
 Gamma2 Fr= 1--      0.1618                 0.0971                -0.4912
 Delta2 Fr= 1--     -0.0371                -0.0589                -0.0412
 Raman1 Fr= 1--       2.285                  5.721                  4.894
 ROA1   Fr= 1--      14.343                  7.433                -48.472
 CID1   Fr= 1--       6.276                  1.299                 -9.904
 Raman2 Fr= 1--       0.700                  1.098                  1.241
 ROA2   Fr= 1--       4.179                  2.801                -11.459
 CID2   Fr= 1--       5.968                  2.550                 -9.237
 Raman3 Fr= 1--       1.400                  2.196                  2.481
 ROA3   Fr= 1--      14.343                  7.433                -48.472
 CID3   Fr= 1--      10.242                  3.384                -19.536
 RC180  Fr= 1--       0.226                 -0.232                  0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.02   0.16    -0.05   0.01   0.06    -0.05  -0.00   0.02
     2   6    -0.16  -0.03  -0.02    -0.04  -0.18  -0.07    -0.02  -0.06  -0.02
     3   6    -0.06   0.05  -0.08    -0.03  -0.12   0.03     0.06   0.03   0.07
     4   6    -0.02   0.02  -0.10     0.04   0.06   0.13     0.08  -0.08   0.04
     5   8    -0.01  -0.05   0.00     0.23   0.13  -0.06    -0.02  -0.05   0.04
     6   6     0.15  -0.00  -0.04     0.00   0.04  -0.11    -0.01   0.01  -0.05
     7   7     0.05   0.01   0.02    -0.14  -0.15  -0.00     0.02   0.09  -0.01
     8   8     0.08  -0.01  -0.01    -0.01   0.12   0.06     0.01  -0.03  -0.04
     9   1     0.03   0.09  -0.09    -0.18  -0.15   0.03     0.03   0.05   0.07
    10   1    -0.17  -0.02  -0.01    -0.02  -0.18  -0.06    -0.09  -0.03  -0.06
    11   1     0.09  -0.13   0.18     0.14  -0.05  -0.37    -0.45   0.58  -0.49
    12   1     0.08  -0.05   0.05    -0.23  -0.13  -0.05    -0.04   0.20  -0.06
    13   1     0.08  -0.08   0.05    -0.21   0.07  -0.05     0.00   0.14  -0.03
    14   1     0.22   0.02  -0.16     0.03   0.13  -0.38    -0.01   0.05  -0.18
    15   1     0.33  -0.06   0.28     0.02   0.19   0.01    -0.00   0.07  -0.01
    16   1     0.34   0.07  -0.28     0.02   0.13   0.03     0.01   0.06   0.02
    17   1     0.10   0.04   0.15     0.10   0.13   0.05    -0.02   0.05   0.02
    18   1    -0.25   0.04   0.26    -0.26   0.04   0.23    -0.17   0.02   0.08
    19   1    -0.13   0.08   0.31     0.04   0.11   0.08     0.01   0.07   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    595.4457               661.8544               713.3014
 Red. masses --      1.9263                 2.9959                 3.2490
 Frc consts  --      0.4024                 0.7732                 0.9740
 IR Inten    --     31.9309                23.4973                24.9446
 RamAct Fr= 1--      2.0968                 2.2112                13.2937
  Dep-P Fr= 1--      0.4087                 0.3915                 0.0402
  Dep-U Fr= 1--      0.5803                 0.5627                 0.0773
 Alpha2 Fr= 1--      0.0151                 0.0169                 0.2688
 Beta2  Fr= 1--      0.2028                 0.2074                 0.1714
 AlphaG Fr= 1--     -0.0232                -0.0305                 0.1247
 Gamma2 Fr= 1--     -0.5057                -0.1897                 0.0655
 Delta2 Fr= 1--      0.4588                 0.0277                 0.0047
 Raman1 Fr= 1--       8.387                  8.845                 53.175
 ROA1   Fr= 1--     -33.865                -17.322                  6.440
 CID1   Fr= 1--      -4.038                 -1.958                  0.121
 Raman2 Fr= 1--       2.433                  2.488                  2.057
 ROA2   Fr= 1--     -15.807                 -4.774                  1.534
 CID2   Fr= 1--      -6.496                 -1.918                  0.746
 Raman3 Fr= 1--       4.867                  4.977                  4.113
 ROA3   Fr= 1--     -33.865                -17.322                  6.440
 CID3   Fr= 1--      -6.958                 -3.481                  1.566
 RC180  Fr= 1--       0.161                  0.125                 -0.845
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01     0.01  -0.00  -0.00    -0.11   0.01   0.05
     2   6    -0.05   0.18  -0.01     0.01  -0.04  -0.01    -0.05   0.17  -0.02
     3   6    -0.09  -0.03  -0.01    -0.05   0.00   0.20     0.10  -0.05   0.10
     4   6    -0.01  -0.06   0.06    -0.04  -0.12   0.08     0.20  -0.11   0.11
     5   8     0.05  -0.06  -0.04    -0.06  -0.11  -0.15    -0.04   0.12   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.00  -0.06    -0.02   0.03  -0.11
     7   7     0.01  -0.06   0.00     0.03   0.11  -0.01     0.01  -0.10   0.01
     8   8     0.06   0.08   0.02     0.09   0.14  -0.00    -0.03  -0.05  -0.12
     9   1    -0.18  -0.05  -0.01    -0.11   0.01   0.20    -0.03  -0.13   0.10
    10   1     0.03   0.14   0.04    -0.03  -0.01  -0.09    -0.06   0.17  -0.03
    11   1    -0.26   0.15  -0.59     0.24  -0.66   0.16     0.26  -0.01   0.59
    12   1     0.14  -0.13   0.07     0.01   0.42  -0.09    -0.09   0.07  -0.08
    13   1     0.08  -0.28   0.03     0.07  -0.02  -0.06    -0.07   0.10  -0.15
    14   1     0.04  -0.09   0.25    -0.05   0.05  -0.18     0.02  -0.05   0.07
    15   1     0.04  -0.12   0.01    -0.05   0.08  -0.08     0.02  -0.08  -0.09
    16   1     0.01  -0.10  -0.23    -0.03   0.06   0.10    -0.00  -0.07  -0.32
    17   1     0.03  -0.12   0.01     0.06   0.00  -0.00    -0.08  -0.10   0.05
    18   1     0.23  -0.06  -0.08    -0.03   0.00   0.03     0.07  -0.05  -0.01
    19   1    -0.19  -0.14   0.11     0.03   0.02   0.03    -0.29  -0.12   0.15
                     16                     17                     18
                      A                      A                      A
 Frequencies --    801.6191               859.5473               869.5482
 Red. masses --      1.8428                 2.3774                 2.8724
 Frc consts  --      0.6977                 1.0349                 1.2796
 IR Inten    --    181.7253                50.3793                 3.5335
 RamAct Fr= 1--      0.5823                 8.8405                 3.9106
  Dep-P Fr= 1--      0.2052                 0.0665                 0.2585
  Dep-U Fr= 1--      0.3405                 0.1247                 0.4108
 Alpha2 Fr= 1--      0.0078                 0.1679                 0.0453
 Beta2  Fr= 1--      0.0330                 0.1837                 0.2677
 AlphaG Fr= 1--      0.0071                -0.0203                -0.0036
 Gamma2 Fr= 1--      0.3535                -0.3627                 0.5279
 Delta2 Fr= 1--     -0.0809                -0.5090                 0.8601
 Raman1 Fr= 1--       2.329                 35.362                 15.642
 ROA1   Fr= 1--      31.350                -51.108                 78.207
 CID1   Fr= 1--      13.460                 -1.445                  5.000
 Raman2 Fr= 1--       0.396                  2.204                  3.213
 ROA2   Fr= 1--       9.132                 -4.634                  5.790
 CID2   Fr= 1--      23.032                 -2.102                  1.802
 Raman3 Fr= 1--       0.793                  4.409                  6.426
 ROA3   Fr= 1--      31.350                -51.108                 78.207
 CID3   Fr= 1--      39.533                -11.592                 12.171
 RC180  Fr= 1--      -0.319                 -0.751                 -0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.09  -0.00  -0.07    -0.07  -0.04   0.05
     2   6     0.00  -0.05  -0.02    -0.08  -0.04  -0.08     0.05   0.03   0.00
     3   6    -0.04  -0.01  -0.06    -0.09   0.08  -0.11     0.20   0.01  -0.20
     4   6     0.10  -0.09   0.10     0.08  -0.08   0.09    -0.02  -0.06   0.15
     5   8    -0.01   0.05  -0.01    -0.01   0.02  -0.02    -0.05  -0.07  -0.06
     6   6    -0.00  -0.00   0.05    -0.02  -0.00   0.18     0.00   0.03  -0.02
     7   7    -0.06   0.13  -0.05     0.06  -0.07   0.06     0.05   0.03   0.02
     8   8    -0.02   0.01  -0.05    -0.01   0.01  -0.04    -0.08   0.08   0.08
     9   1    -0.18  -0.00  -0.06    -0.33   0.15  -0.12     0.14   0.02  -0.20
    10   1    -0.02  -0.06   0.02    -0.11  -0.03  -0.05    -0.02   0.01   0.13
    11   1     0.08  -0.01   0.15     0.02   0.03   0.06    -0.02  -0.35  -0.19
    12   1     0.38  -0.46   0.30    -0.27   0.34  -0.20    -0.12  -0.29   0.02
    13   1     0.16  -0.45   0.38    -0.09   0.30  -0.30    -0.10   0.52   0.04
    14   1     0.01   0.01   0.02     0.06   0.00   0.10     0.03  -0.05   0.17
    15   1     0.02   0.01   0.10     0.07   0.01   0.38     0.01  -0.10  -0.06
    16   1     0.02   0.03   0.08     0.05   0.01   0.07    -0.02  -0.07  -0.17
    17   1     0.02   0.06  -0.01     0.27   0.09  -0.09    -0.23   0.05   0.06
    18   1    -0.09   0.02   0.03    -0.06   0.01   0.07    -0.23   0.02   0.04
    19   1     0.09   0.06  -0.03     0.13   0.07  -0.01     0.09   0.06  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.1728               957.8676               973.5137
 Red. masses --      1.1992                 2.1984                 1.4825
 Frc consts  --      0.6219                 1.1884                 0.8278
 IR Inten    --      0.7586                 9.7476                 0.0542
 RamAct Fr= 1--      0.7139                 5.3746                 2.0812
  Dep-P Fr= 1--      0.4270                 0.7248                 0.7293
  Dep-U Fr= 1--      0.5984                 0.8405                 0.8435
 Alpha2 Fr= 1--      0.0048                 0.0023                 0.0007
 Beta2  Fr= 1--      0.0712                 0.7529                 0.2926
 AlphaG Fr= 1--     -0.0007                 0.0006                -0.0015
 Gamma2 Fr= 1--      0.2764                -1.5978                 0.3717
 Delta2 Fr= 1--      0.2653                -0.3443                 0.1188
 Raman1 Fr= 1--       2.856                 21.499                  8.325
 ROA1   Fr= 1--      35.024               -164.407                 39.481
 CID1   Fr= 1--      12.264                 -7.647                  4.743
 Raman2 Fr= 1--       0.854                  9.034                  3.511
 ROA2   Fr= 1--       4.512                -35.593                  7.969
 CID2   Fr= 1--       5.280                 -3.940                  2.270
 Raman3 Fr= 1--       1.709                 18.069                  7.022
 ROA3   Fr= 1--      35.024               -164.407                 39.481
 CID3   Fr= 1--      20.494                 -9.099                  5.623
 RC180  Fr= 1--       0.197                  0.681                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.07   0.01  -0.12    -0.12   0.04  -0.02
     2   6     0.04  -0.00  -0.02    -0.15   0.03  -0.05     0.04   0.02  -0.09
     3   6    -0.03  -0.00   0.02     0.17  -0.07   0.10     0.04   0.00  -0.02
     4   6    -0.00   0.01  -0.02    -0.04   0.04  -0.02    -0.00   0.00   0.01
     5   8     0.00   0.00   0.00    -0.01  -0.03  -0.00    -0.01  -0.01  -0.00
     6   6     0.06   0.06  -0.00    -0.06   0.02   0.06     0.07  -0.05   0.09
     7   7    -0.00  -0.00   0.00    -0.02   0.01  -0.04     0.00  -0.00  -0.01
     8   8     0.01  -0.01  -0.01    -0.01   0.00   0.03    -0.01   0.01   0.01
     9   1    -0.07   0.01   0.02     0.30  -0.11   0.11     0.05  -0.00  -0.02
    10   1    -0.13  -0.05   0.32    -0.36   0.10  -0.07     0.12   0.05  -0.28
    11   1     0.00   0.03   0.02    -0.01  -0.08  -0.04    -0.01  -0.03  -0.02
    12   1    -0.00   0.06  -0.01     0.08  -0.25   0.08    -0.00  -0.09   0.01
    13   1     0.01  -0.04  -0.01    -0.01   0.03   0.15    -0.01   0.05   0.02
    14   1    -0.10  -0.06   0.46     0.07  -0.01   0.02    -0.14   0.08  -0.10
    15   1    -0.10  -0.15  -0.43     0.08  -0.01   0.33    -0.09   0.15  -0.14
    16   1    -0.14  -0.15   0.03     0.06   0.02  -0.18    -0.03   0.09   0.56
    17   1     0.32   0.17  -0.06     0.52   0.14  -0.15     0.23  -0.11  -0.03
    18   1    -0.34  -0.03   0.29    -0.07  -0.01   0.15     0.14  -0.09   0.08
    19   1     0.04   0.11   0.13    -0.01   0.07   0.15    -0.47  -0.17   0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1052.0243              1124.7188              1137.4624
 Red. masses --      1.7242                 2.3281                 2.8156
 Frc consts  --      1.1243                 1.7352                 2.1463
 IR Inten    --      8.3746                 6.7812               260.5224
 RamAct Fr= 1--      3.1429                 8.0184                 1.8528
  Dep-P Fr= 1--      0.5157                 0.5600                 0.5255
  Dep-U Fr= 1--      0.6805                 0.7180                 0.6890
 Alpha2 Fr= 1--      0.0144                 0.0289                 0.0081
 Beta2  Fr= 1--      0.3564                 0.9595                 0.2128
 AlphaG Fr= 1--      0.0067                -0.0176                -0.0177
 Gamma2 Fr= 1--      0.3388                 0.6687                 0.4739
 Delta2 Fr= 1--      0.0224                 0.5131                -0.2226
 Raman1 Fr= 1--      12.572                 32.074                  7.411
 ROA1   Fr= 1--      33.241                 80.610                 38.367
 CID1   Fr= 1--       2.644                  2.513                  5.177
 Raman2 Fr= 1--       4.277                 11.514                  2.553
 ROA2   Fr= 1--       7.951                 11.943                 13.153
 CID2   Fr= 1--       1.859                  1.037                  5.152
 Raman3 Fr= 1--       8.555                 23.028                  5.106
 ROA3   Fr= 1--      33.241                 80.610                 38.367
 CID3   Fr= 1--       3.886                  3.501                  7.514
 RC180  Fr= 1--       0.361                  0.436                  0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.02     0.06   0.07  -0.08    -0.01  -0.06   0.02
     2   6     0.01   0.09   0.02    -0.12  -0.01   0.22     0.01   0.08  -0.05
     3   6     0.01   0.15   0.02    -0.05   0.02  -0.09    -0.00  -0.11  -0.02
     4   6     0.01  -0.00   0.02     0.01  -0.07   0.05    -0.14  -0.18  -0.04
     5   8    -0.01  -0.02  -0.01     0.00   0.04   0.01     0.03   0.18   0.13
     6   6     0.04  -0.06  -0.01     0.05  -0.07  -0.11     0.00  -0.02   0.03
     7   7    -0.02  -0.13  -0.04     0.03   0.02   0.02     0.01   0.06   0.03
     8   8    -0.01   0.01   0.01    -0.01   0.01  -0.01     0.05  -0.03  -0.06
     9   1     0.14   0.06   0.03     0.34  -0.21  -0.05     0.32   0.12  -0.05
    10   1    -0.45   0.30  -0.22    -0.20  -0.05   0.41     0.01   0.10  -0.15
    11   1    -0.01   0.00   0.00    -0.00  -0.08  -0.08    -0.01  -0.56  -0.45
    12   1     0.04  -0.12  -0.01    -0.05  -0.07   0.01     0.01   0.25  -0.02
    13   1     0.02  -0.29   0.00    -0.02   0.14  -0.04     0.04  -0.03  -0.07
    14   1    -0.10   0.06  -0.20    -0.15   0.05  -0.28    -0.03   0.02  -0.05
    15   1    -0.06   0.13  -0.11    -0.08   0.09  -0.29    -0.00   0.06   0.06
    16   1     0.01   0.10   0.33    -0.05   0.01   0.22     0.03   0.04   0.08
    17   1    -0.12   0.13   0.02     0.33  -0.01  -0.09    -0.08   0.09   0.01
    18   1    -0.27   0.05   0.04     0.25  -0.03   0.01    -0.22   0.02   0.04
    19   1     0.33   0.17  -0.14    -0.11  -0.03   0.12     0.16   0.08  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1168.6297              1199.7763              1239.8922
 Red. masses --      1.4293                 1.9225                 1.8982
 Frc consts  --      1.1500                 1.6305                 1.7194
 IR Inten    --      5.0577                 5.2905                21.6030
 RamAct Fr= 1--      3.9615                 1.8105                 3.2491
  Dep-P Fr= 1--      0.3863                 0.6539                 0.7496
  Dep-U Fr= 1--      0.5573                 0.7907                 0.8569
 Alpha2 Fr= 1--      0.0308                 0.0031                 0.0000
 Beta2  Fr= 1--      0.3680                 0.2386                 0.4640
 AlphaG Fr= 1--     -0.1113                -0.0007                 0.0009
 Gamma2 Fr= 1--     -0.7350                -0.7643                 0.4085
 Delta2 Fr= 1--      0.6453                -0.0455                 0.0587
 Raman1 Fr= 1--      15.846                  7.242                 12.996
 ROA1   Fr= 1--     -49.910                -74.825                 41.096
 CID1   Fr= 1--      -3.150                -10.332                  3.162
 Raman2 Fr= 1--       4.416                  2.863                  5.568
 ROA2   Fr= 1--     -22.803                -17.978                  9.335
 CID2   Fr= 1--      -5.164                 -6.279                  1.676
 Raman3 Fr= 1--       8.831                  5.726                 11.137
 ROA3   Fr= 1--     -49.910                -74.825                 41.096
 CID3   Fr= 1--      -5.652                -13.067                  3.690
 RC180  Fr= 1--       0.115                  0.581                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.02    -0.08  -0.07  -0.08    -0.02   0.03  -0.02
     2   6     0.03  -0.09   0.01     0.17   0.09   0.09     0.06  -0.06   0.03
     3   6     0.04   0.10  -0.01    -0.04  -0.00  -0.03    -0.01   0.18   0.09
     4   6     0.01  -0.04   0.03     0.01   0.01  -0.00    -0.04  -0.04  -0.02
     5   8    -0.01   0.01   0.01     0.00  -0.01  -0.01    -0.02   0.05   0.05
     6   6    -0.03   0.04  -0.00    -0.11  -0.07  -0.02    -0.04   0.02  -0.01
     7   7    -0.06  -0.06  -0.02    -0.00   0.00   0.02     0.04  -0.06  -0.07
     8   8    -0.02   0.01   0.01    -0.01   0.01   0.01     0.04  -0.03  -0.05
     9   1     0.51   0.48  -0.05    -0.00  -0.08  -0.02    -0.37  -0.05   0.12
    10   1     0.12  -0.12   0.05     0.27   0.05   0.13     0.03  -0.06   0.05
    11   1    -0.01  -0.10  -0.07     0.01   0.09   0.07    -0.04  -0.35  -0.27
    12   1     0.06   0.26  -0.05    -0.00   0.08  -0.00    -0.06  -0.58   0.02
    13   1     0.06  -0.44  -0.06     0.02  -0.07  -0.03    -0.07   0.35   0.12
    14   1     0.08  -0.04   0.13     0.16  -0.01  -0.40     0.10  -0.04   0.03
    15   1     0.04  -0.09   0.06     0.05   0.09   0.37     0.03  -0.06   0.08
    16   1    -0.01  -0.05  -0.20     0.18   0.15  -0.19     0.02   0.01  -0.13
    17   1     0.09  -0.07  -0.02     0.29   0.14  -0.10     0.07  -0.06  -0.02
    18   1     0.15  -0.04   0.01    -0.29  -0.09   0.31     0.07  -0.03   0.05
    19   1    -0.16  -0.05   0.07    -0.05   0.10   0.23    -0.12  -0.05   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.8007              1319.8077              1359.7613
 Red. masses --      1.3076                 1.4133                 1.4408
 Frc consts  --      1.2996                 1.4505                 1.5696
 IR Inten    --      0.4988                10.9367                11.6669
 RamAct Fr= 1--      9.9300                 7.4203                 3.4519
  Dep-P Fr= 1--      0.4350                 0.4987                 0.6663
  Dep-U Fr= 1--      0.6062                 0.6655                 0.7997
 Alpha2 Fr= 1--      0.0646                 0.0369                 0.0051
 Beta2  Fr= 1--      1.0033                 0.8230                 0.4601
 AlphaG Fr= 1--     -0.0105                 0.0486                 0.0246
 Gamma2 Fr= 1--      0.1197                 0.6625                 0.5340
 Delta2 Fr= 1--     -0.5824                -1.0924                 0.3507
 Raman1 Fr= 1--      39.720                 29.681                 13.807
 ROA1   Fr= 1--      -7.146                 28.645                 62.481
 CID1   Fr= 1--      -0.180                  0.965                  4.525
 Raman2 Fr= 1--      12.040                  9.876                  5.521
 ROA2   Fr= 1--       7.532                 24.639                 10.009
 CID2   Fr= 1--       0.626                  2.495                  1.813
 Raman3 Fr= 1--      24.080                 19.752                 11.042
 ROA3   Fr= 1--      -7.146                 28.645                 62.481
 CID3   Fr= 1--      -0.297                  1.450                  5.658
 RC180  Fr= 1--       0.212                  0.331                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.01  -0.02   0.01     0.01  -0.07  -0.01
     2   6     0.02  -0.03  -0.01    -0.06   0.05  -0.04    -0.12   0.04   0.02
     3   6    -0.10   0.04   0.01     0.01   0.00   0.05     0.00   0.04   0.02
     4   6    -0.03  -0.08   0.00    -0.08  -0.10  -0.02     0.07   0.08   0.02
     5   8     0.03   0.01  -0.02     0.04   0.01  -0.02    -0.04  -0.02   0.01
     6   6    -0.01   0.05   0.00     0.01  -0.04  -0.00     0.03   0.00  -0.01
     7   7     0.03   0.01  -0.00     0.02  -0.02  -0.05    -0.01  -0.01  -0.00
     8   8    -0.01   0.02   0.02    -0.00   0.03   0.02    -0.00  -0.02  -0.02
     9   1     0.57  -0.41   0.07     0.04   0.53  -0.01     0.07  -0.08   0.04
    10   1     0.13   0.06  -0.44     0.35  -0.20   0.38     0.81  -0.18  -0.20
    11   1     0.04   0.30   0.21     0.06   0.38   0.28    -0.04  -0.26  -0.19
    12   1    -0.05  -0.19   0.01    -0.01  -0.22  -0.01     0.00  -0.02   0.00
    13   1    -0.02   0.18   0.00    -0.03   0.20   0.09    -0.00  -0.03   0.00
    14   1     0.05  -0.03   0.18    -0.07   0.01  -0.09    -0.10   0.03   0.03
    15   1     0.04  -0.09   0.02    -0.02   0.10   0.02    -0.01   0.04  -0.06
    16   1    -0.05  -0.03  -0.07     0.02   0.03   0.11    -0.05  -0.04   0.06
    17   1     0.02   0.00  -0.01    -0.04   0.06   0.00     0.06   0.16  -0.03
    18   1    -0.06  -0.01   0.02    -0.07   0.02  -0.03    -0.12  -0.01  -0.01
    19   1     0.03   0.01  -0.02     0.04   0.00  -0.02     0.16   0.09  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1383.7294              1406.7049              1426.9729
 Red. masses --      1.4250                 1.2556                 1.3023
 Frc consts  --      1.6075                 1.4639                 1.5624
 IR Inten    --     10.3827                 7.6586                 2.5922
 RamAct Fr= 1--      1.5053                 0.1168                 0.4948
  Dep-P Fr= 1--      0.7310                 0.7358                 0.5534
  Dep-U Fr= 1--      0.8446                 0.8478                 0.7125
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0019
 Beta2  Fr= 1--      0.2119                 0.0165                 0.0588
 AlphaG Fr= 1--      0.0019                -0.0008                 0.0140
 Gamma2 Fr= 1--     -0.6784                 0.0944                -0.0850
 Delta2 Fr= 1--      0.0864                 0.0403                 0.0185
 Raman1 Fr= 1--       6.021                  0.467                  1.979
 ROA1   Fr= 1--     -62.364                 10.349                 -7.570
 CID1   Fr= 1--     -10.357                 22.157                 -3.825
 Raman2 Fr= 1--       2.543                  0.198                  0.705
 ROA2   Fr= 1--     -16.973                  1.943                 -2.188
 CID2   Fr= 1--      -6.675                  9.812                 -3.104
 Raman3 Fr= 1--       5.086                  0.396                  1.410
 ROA3   Fr= 1--     -62.364                 10.349                 -7.570
 CID3   Fr= 1--     -12.263                 26.136                 -5.369
 RC180  Fr= 1--       0.689                  0.696                  0.425
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04    -0.10  -0.02   0.06    -0.07  -0.01   0.02
     2   6     0.02   0.03  -0.15     0.01   0.00  -0.04    -0.01  -0.01   0.03
     3   6    -0.05   0.04   0.02     0.01   0.02   0.01     0.06   0.02  -0.02
     4   6     0.05   0.04   0.02    -0.01  -0.01  -0.00    -0.04  -0.03  -0.02
     5   8    -0.02  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.02  -0.04  -0.01     0.00  -0.01   0.08    -0.01  -0.00  -0.11
     7   7     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00   0.01
     8   8    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.01
     9   1     0.39  -0.39   0.08     0.02  -0.13   0.02    -0.22  -0.12  -0.01
    10   1    -0.05  -0.18   0.64    -0.00  -0.04   0.12     0.05  -0.00  -0.05
    11   1    -0.03  -0.14  -0.11     0.00   0.02   0.01     0.01   0.08   0.06
    12   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.01   0.10  -0.00
    13   1    -0.00  -0.01  -0.02     0.00  -0.02  -0.02     0.01  -0.09  -0.04
    14   1     0.04  -0.08   0.08     0.02   0.11  -0.30     0.02  -0.19   0.44
    15   1     0.05   0.09   0.22    -0.15  -0.02  -0.25     0.20   0.06   0.37
    16   1     0.06   0.14   0.20     0.08  -0.08  -0.27    -0.07   0.18   0.41
    17   1    -0.11  -0.02   0.04     0.46   0.09   0.01     0.29   0.05  -0.01
    18   1    -0.05   0.07  -0.10     0.37  -0.08  -0.29     0.26  -0.09  -0.12
    19   1    -0.05  -0.09  -0.08     0.29   0.20  -0.31     0.19   0.17  -0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1438.1467              1487.0332              1497.5999
 Red. masses --      1.6555                 1.0428                 1.0518
 Frc consts  --      2.0174                 1.3587                 1.3899
 IR Inten    --     22.4839                 0.7311                 1.9572
 RamAct Fr= 1--      1.3919                 8.2728                 0.7623
  Dep-P Fr= 1--      0.6676                 0.7499                 0.7495
  Dep-U Fr= 1--      0.8007                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0020                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1857                 1.1817                 0.1089
 AlphaG Fr= 1--      0.0142                -0.0012                 0.0002
 Gamma2 Fr= 1--     -1.0854                 0.5968                -0.1122
 Delta2 Fr= 1--      0.6716                -0.2150                -0.0275
 Raman1 Fr= 1--       5.568                 33.091                  3.049
 ROA1   Fr= 1--     -82.704                 50.411                -11.654
 CID1   Fr= 1--     -14.854                  1.523                 -3.822
 Raman2 Fr= 1--       2.229                 14.181                  1.306
 ROA2   Fr= 1--     -31.421                 16.043                 -2.474
 CID2   Fr= 1--     -14.097                  1.131                 -1.894
 Raman3 Fr= 1--       4.458                 28.362                  2.612
 ROA3   Fr= 1--     -82.704                 50.411                -11.654
 CID3   Fr= 1--     -18.553                  1.777                 -4.461
 RC180  Fr= 1--       0.601                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.02     0.01  -0.04   0.01     0.02   0.00   0.02
     2   6     0.04   0.01   0.02     0.00  -0.00  -0.00    -0.02  -0.01   0.03
     3   6    -0.13  -0.11   0.03     0.00   0.00  -0.00     0.01   0.00  -0.01
     4   6     0.09   0.09   0.04    -0.01  -0.00   0.00    -0.00  -0.01  -0.00
     5   8    -0.03  -0.02   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.01   0.01  -0.04    -0.01   0.03  -0.00    -0.04  -0.01   0.00
     7   7     0.04   0.00  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.02  -0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.30   0.62  -0.04    -0.01  -0.01  -0.00    -0.05   0.02  -0.01
    10   1    -0.20   0.13  -0.13    -0.03  -0.00   0.04     0.04   0.01  -0.09
    11   1    -0.03  -0.16  -0.12     0.00   0.01   0.01     0.00   0.01   0.01
    12   1    -0.03  -0.21  -0.01     0.00   0.02  -0.00     0.03   0.05  -0.00
    13   1    -0.05   0.33   0.10    -0.00  -0.00  -0.00    -0.00  -0.00   0.02
    14   1     0.07  -0.07   0.12     0.26   0.01  -0.20     0.40  -0.18   0.15
    15   1     0.07  -0.03   0.12     0.11  -0.43  -0.00    -0.18   0.06  -0.30
    16   1    -0.03   0.07   0.15    -0.19  -0.06   0.21     0.35   0.40   0.03
    17   1     0.21   0.03   0.00    -0.10   0.55  -0.02     0.20   0.07   0.00
    18   1     0.12  -0.03  -0.10     0.07   0.07  -0.39    -0.28   0.18  -0.24
    19   1     0.12   0.07  -0.13    -0.12   0.01   0.34    -0.17  -0.28  -0.18
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.4797              1511.2743              1639.1403
 Red. masses --      1.0438                 1.0547                 1.1061
 Frc consts  --      1.3976                 1.4193                 1.7510
 IR Inten    --     13.5017                 5.3070                59.5376
 RamAct Fr= 1--      2.3174                 5.6102                 2.1232
  Dep-P Fr= 1--      0.7166                 0.7419                 0.7497
  Dep-U Fr= 1--      0.8349                 0.8518                 0.8570
 Alpha2 Fr= 1--      0.0013                 0.0008                 0.0000
 Beta2  Fr= 1--      0.3225                 0.7965                 0.3033
 AlphaG Fr= 1--     -0.0032                 0.0029                 0.0003
 Gamma2 Fr= 1--     -0.3148                 0.1974                -1.0056
 Delta2 Fr= 1--     -0.0544                 0.1833                -0.4349
 Raman1 Fr= 1--       9.270                 22.441                  8.493
 ROA1   Fr= 1--     -31.962                 24.817               -110.460
 CID1   Fr= 1--      -3.448                  1.106                -13.006
 Raman2 Fr= 1--       3.869                  9.558                  3.639
 ROA2   Fr= 1--      -7.121                  3.271                -20.656
 CID2   Fr= 1--      -1.840                  0.342                 -5.676
 Raman3 Fr= 1--       7.739                 19.115                  7.278
 ROA3   Fr= 1--     -31.962                 24.817               -110.460
 CID3   Fr= 1--      -4.130                  1.298                -15.177
 RC180  Fr= 1--       0.670                  0.704                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.02    -0.01   0.01  -0.03    -0.00   0.00  -0.00
     2   6     0.01  -0.03  -0.01    -0.03   0.01  -0.02     0.00  -0.00   0.00
     3   6    -0.01  -0.00   0.00     0.00  -0.01   0.00    -0.01   0.01  -0.02
     4   6     0.01   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.03   0.00    -0.03   0.01   0.02     0.00   0.00   0.00
     7   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.02
     9   1     0.03   0.01  -0.00     0.03  -0.00   0.00     0.01  -0.09  -0.01
    10   1    -0.07  -0.00  -0.03     0.04  -0.03   0.03     0.00  -0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.02   0.01
    12   1    -0.01  -0.02  -0.00    -0.02  -0.01  -0.01     0.55   0.45   0.10
    13   1    -0.01   0.03  -0.00    -0.00   0.01  -0.01    -0.11   0.38   0.55
    14   1    -0.17  -0.05   0.26     0.45  -0.12  -0.04    -0.01   0.01  -0.01
    15   1    -0.15   0.47  -0.07    -0.08  -0.24  -0.25     0.00  -0.01   0.00
    16   1     0.28   0.15  -0.24     0.14   0.25   0.17    -0.01  -0.02  -0.01
    17   1    -0.23   0.37  -0.01    -0.25  -0.21   0.00    -0.01  -0.01  -0.00
    18   1     0.25  -0.07  -0.14     0.27  -0.21   0.37     0.03  -0.02   0.02
    19   1     0.02   0.19   0.41     0.23   0.31   0.14     0.02   0.02   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1811.5255              3024.6683              3028.2226
 Red. masses --      8.6278                 1.0488                 1.0685
 Frc consts  --     16.6816                 5.6532                 5.7728
 IR Inten    --    261.2511                14.6575                22.7514
 RamAct Fr= 1--     18.6135               107.9754                60.6162
  Dep-P Fr= 1--      0.1553                 0.0636                 0.4112
  Dep-U Fr= 1--      0.2689                 0.1197                 0.5828
 Alpha2 Fr= 1--      0.2839                 2.0645                 0.4312
 Beta2  Fr= 1--      0.8342                 2.1533                 5.8877
 AlphaG Fr= 1--     -0.0420                 0.0813                -0.1948
 Gamma2 Fr= 1--     -0.2244                 5.7305                 8.5746
 Delta2 Fr= 1--      0.4650                 4.5646                 8.9408
 Raman1 Fr= 1--      74.454                431.901                242.465
 ROA1   Fr= 1--      -6.665                696.194               1109.269
 CID1   Fr= 1--      -0.090                  1.612                  4.575
 Raman2 Fr= 1--      10.010                 25.840                 70.653
 ROA2   Fr= 1--      -9.106                101.015                134.264
 CID2   Fr= 1--      -0.910                  3.909                  1.900
 Raman3 Fr= 1--      20.020                 51.679                141.305
 ROA3   Fr= 1--      -6.665                696.194               1109.269
 CID3   Fr= 1--      -0.333                 13.471                  7.850
 RC180  Fr= 1--      -0.462                 -0.761                  0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.02   0.01     0.02   0.00  -0.01
     2   6     0.01  -0.01   0.00     0.01   0.03   0.01     0.01   0.04   0.01
     3   6     0.05   0.01  -0.03     0.00  -0.00  -0.03     0.00  -0.01  -0.05
     4   6    -0.40   0.25   0.48     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.01
     7   7    -0.00   0.02   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8     0.23  -0.18  -0.30    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.18   0.04  -0.02    -0.01   0.04   0.34    -0.01   0.08   0.65
    10   1     0.01  -0.01  -0.00    -0.10  -0.33  -0.10    -0.14  -0.46  -0.14
    11   1     0.04   0.35   0.26     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.21  -0.13  -0.04     0.00   0.00  -0.01     0.00   0.00  -0.01
    13   1     0.04  -0.19  -0.19    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.01  -0.03  -0.01     0.06   0.22   0.07
    15   1    -0.02   0.04  -0.01     0.06   0.01  -0.02    -0.10  -0.03   0.04
    16   1     0.03   0.01  -0.04    -0.06   0.05  -0.02     0.08  -0.09   0.04
    17   1     0.00   0.01  -0.00    -0.03  -0.03  -0.45     0.02   0.01   0.28
    18   1    -0.01   0.01  -0.00     0.20   0.57   0.17    -0.09  -0.25  -0.07
    19   1    -0.02  -0.01   0.01     0.24  -0.26   0.12    -0.18   0.19  -0.09
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3034.6402              3036.6854              3083.0582
 Red. masses --      1.0833                 1.0376                 1.0995
 Frc consts  --      5.8776                 5.6374                 6.1577
 IR Inten    --     18.3501                18.2707                22.4982
 RamAct Fr= 1--    152.0595               198.9560                39.8121
  Dep-P Fr= 1--      0.1312                 0.0159                 0.3921
  Dep-U Fr= 1--      0.2320                 0.0314                 0.5633
 Alpha2 Fr= 1--      2.4646                 4.2595                 0.3033
 Beta2  Fr= 1--      5.8787                 1.0400                 3.7378
 AlphaG Fr= 1--     -0.1459                -0.2604                -0.0514
 Gamma2 Fr= 1--    -18.2543                 0.4901                 0.0499
 Delta2 Fr= 1--    -20.0908                 0.4545                 1.6661
 Raman1 Fr= 1--     608.238                795.824                159.249
 ROA1   Fr= 1--   -2395.320                 61.597                 58.106
 CID1   Fr= 1--      -3.938                  0.077                  0.365
 Raman2 Fr= 1--      70.545                 12.480                 44.853
 ROA2   Fr= 1--    -277.377                  8.127                -12.132
 CID2   Fr= 1--      -3.932                  0.651                 -0.270
 Raman3 Fr= 1--     141.090                 24.960                 89.707
 ROA3   Fr= 1--   -2395.320                 61.597                 58.106
 CID3   Fr= 1--     -16.977                  2.468                  0.648
 RC180  Fr= 1--      -0.536                 -0.937                  0.127
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.01  -0.00   0.01     0.00  -0.08  -0.04
     2   6    -0.02  -0.05  -0.02    -0.01  -0.02  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.01  -0.05     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.01  -0.05    -0.00   0.03  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01   0.07   0.65     0.00  -0.01  -0.07     0.00   0.00   0.04
    10   1     0.20   0.66   0.19     0.06   0.19   0.05     0.04   0.14   0.04
    11   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.05  -0.16  -0.05     0.16   0.54   0.17    -0.06  -0.19  -0.06
    15   1     0.02   0.01  -0.01    -0.45  -0.12   0.21    -0.06  -0.01   0.03
    16   1    -0.01   0.01  -0.01     0.37  -0.36   0.17     0.13  -0.12   0.06
    17   1    -0.01  -0.00  -0.12    -0.01  -0.01  -0.15     0.03   0.00   0.47
    18   1    -0.03  -0.09  -0.02     0.04   0.12   0.03     0.23   0.61   0.17
    19   1     0.06  -0.06   0.03     0.08  -0.08   0.04    -0.31   0.29  -0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2549              3096.8361              3103.1467
 Red. masses --      1.1014                 1.1008                 1.1018
 Frc consts  --      6.2131                 6.2202                 6.2509
 IR Inten    --     25.6173                42.6576                25.2564
 RamAct Fr= 1--     37.6741               112.3442                58.9159
  Dep-P Fr= 1--      0.5755                 0.6045                 0.7473
  Dep-U Fr= 1--      0.7305                 0.7535                 0.8554
 Alpha2 Fr= 1--      0.1237                 0.3019                 0.0027
 Beta2  Fr= 1--      4.5870                14.1081                 8.3992
 AlphaG Fr= 1--     -0.0346                -0.1842                -0.0310
 Gamma2 Fr= 1--     -9.9838                18.5709                -8.6831
 Delta2 Fr= 1--    -11.0967                14.3071                -2.1984
 Raman1 Fr= 1--     150.696                449.377                235.664
 ROA1   Fr= 1--   -1313.541               2240.635               -903.926
 CID1   Fr= 1--      -8.716                  4.986                 -3.836
 Raman2 Fr= 1--      55.045                169.298                100.790
 ROA2   Fr= 1--    -150.839                331.246               -190.807
 CID2   Fr= 1--      -2.740                  1.957                 -1.893
 Raman3 Fr= 1--     110.089                338.595                201.581
 ROA3   Fr= 1--   -1313.541               2240.635               -903.926
 CID3   Fr= 1--     -11.932                  6.617                 -4.484
 RC180  Fr= 1--       0.461                  0.507                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05     0.04  -0.04   0.05    -0.00   0.00  -0.01
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.01  -0.07   0.00    -0.00  -0.05   0.00    -0.09  -0.01   0.01
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.03    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.04   0.13   0.04     0.03   0.11   0.03     0.01   0.04   0.01
    11   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.15   0.47   0.16     0.12   0.39   0.13     0.05   0.23   0.08
    15   1     0.07   0.00  -0.03     0.15   0.03  -0.07     0.73   0.19  -0.35
    16   1    -0.37   0.34  -0.17    -0.26   0.23  -0.12     0.32  -0.32   0.16
    17   1     0.02   0.03   0.50    -0.02  -0.03  -0.44     0.00   0.00   0.06
    18   1     0.05   0.15   0.03     0.04   0.08   0.04     0.01   0.02   0.00
    19   1     0.24  -0.25   0.10    -0.44   0.44  -0.20     0.05  -0.05   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.5648              3597.2549              3726.9170
 Red. masses --      1.0482                 1.0939                 1.0640
 Frc consts  --      7.6069                 8.3401                 8.7078
 IR Inten    --      5.3770                 8.9865                67.6812
 RamAct Fr= 1--     89.2915                27.1964               136.6204
  Dep-P Fr= 1--      0.0584                 0.6498                 0.2330
  Dep-U Fr= 1--      0.1103                 0.7877                 0.3779
 Alpha2 Fr= 1--      1.7289                 0.0489                 1.6973
 Beta2  Fr= 1--      1.6417                 3.5707                 8.6058
 AlphaG Fr= 1--     -0.6639                -0.0215                -0.0420
 Gamma2 Fr= 1--     -2.0810                -2.8070                -2.9536
 Delta2 Fr= 1--     -0.0156                 1.0856                -0.0219
 Raman1 Fr= 1--     357.166                108.786                546.481
 ROA1   Fr= 1--    -200.276               -234.730               -284.245
 CID1   Fr= 1--      -0.561                 -2.158                 -0.520
 Raman2 Fr= 1--      19.701                 42.848                103.269
 ROA2   Fr= 1--     -49.820                -76.051                -70.711
 CID2   Fr= 1--      -2.529                 -1.775                 -0.685
 Raman3 Fr= 1--      39.402                 85.696                206.539
 ROA3   Fr= 1--    -200.276               -234.730               -284.245
 CID3   Fr= 1--      -5.083                 -2.739                 -1.376
 RC180  Fr= 1--      -0.779                  0.575                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   7    -0.02  -0.03  -0.04    -0.07  -0.01   0.04    -0.00   0.00  -0.00
     8   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.88   0.27  -0.39
    12   1    -0.32   0.18   0.69     0.22  -0.14  -0.56    -0.00  -0.00   0.00
    13   1     0.59   0.18  -0.05     0.75   0.22  -0.04     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   613.791301254.597031341.77734
           X            0.99999   0.00236   0.00262
           Y           -0.00222   0.99879  -0.04914
           Z           -0.00274   0.04914   0.99879
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14111     0.06904     0.06455
 Rotational constants (GHZ):           2.94032     1.43850     1.34504
 Zero-point vibrational energy     431031.1 (Joules/Mol)
                                  103.01890 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     80.52   121.30   254.70   311.00   318.98
          (Kelvin)            354.66   399.56   426.06   497.49   572.39
                              643.94   833.79   856.71   952.26  1026.28
                             1153.35  1236.70  1251.09  1349.82  1378.16
                             1400.67  1513.63  1618.22  1636.55  1681.40
                             1726.21  1783.93  1868.68  1898.91  1956.39
                             1990.88  2023.93  2053.10  2069.17  2139.51
                             2154.71  2168.93  2174.39  2358.36  2606.38
                             4351.82  4356.94  4366.17  4369.11  4435.83
                             4451.94  4455.66  4464.74  5049.48  5175.65
                             5362.20
 
 Zero-point correction=                           0.164171 (Hartree/Particle)
 Thermal correction to Energy=                    0.173670
 Thermal correction to Enthalpy=                  0.174614
 Thermal correction to Gibbs Free Energy=         0.129974
 Sum of electronic and zero-point Energies=           -402.405553
 Sum of electronic and thermal Energies=              -402.396054
 Sum of electronic and thermal Enthalpies=            -402.395110
 Sum of electronic and thermal Free Energies=         -402.439750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.979             34.465             93.953
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.426
 Vibrational            107.202             28.503             25.339
 Vibration     1          0.596              1.975              4.595
 Vibration     2          0.601              1.960              3.788
 Vibration     3          0.628              1.871              2.360
 Vibration     4          0.645              1.816              1.991
 Vibration     5          0.648              1.808              1.945
 Vibration     6          0.661              1.769              1.755
 Vibration     7          0.679              1.715              1.548
 Vibration     8          0.690              1.681              1.439
 Vibration     9          0.724              1.584              1.185
 Vibration    10          0.764              1.475              0.971
 Vibration    11          0.807              1.366              0.803
 Vibration    12          0.936              1.076              0.486
 Vibration    13          0.953              1.041              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.164498D-59        -59.783840       -137.657378
 Total V=0       0.536470D+16         15.729545         36.218616
 Vib (Bot)       0.907904D-73        -73.041960       -168.185329
 Vib (Bot)    1  0.369148D+01          0.567200          1.306027
 Vib (Bot)    2  0.244115D+01          0.387595          0.892471
 Vib (Bot)    3  0.113575D+01          0.055284          0.127297
 Vib (Bot)    4  0.916549D+00         -0.037844         -0.087140
 Vib (Bot)    5  0.891556D+00         -0.049851         -0.114787
 Vib (Bot)    6  0.793079D+00         -0.100684         -0.231833
 Vib (Bot)    7  0.693143D+00         -0.159177         -0.366519
 Vib (Bot)    8  0.643603D+00         -0.191382         -0.440673
 Vib (Bot)    9  0.535048D+00         -0.271607         -0.625398
 Vib (Bot)   10  0.448731D+00         -0.348014         -0.801332
 Vib (Bot)   11  0.383914D+00         -0.415766         -0.957335
 Vib (Bot)   12  0.263075D+00         -0.579920         -1.335315
 Vib (Bot)   13  0.251943D+00         -0.598697         -1.378552
 Vib (V=0)       0.296091D+03          2.471425          5.690665
 Vib (V=0)    1  0.422519D+01          0.625846          1.441064
 Vib (V=0)    2  0.299183D+01          0.475937          1.095886
 Vib (V=0)    3  0.174094D+01          0.240784          0.554427
 Vib (V=0)    4  0.154406D+01          0.188664          0.434416
 Vib (V=0)    5  0.152219D+01          0.182469          0.420150
 Vib (V=0)    6  0.143754D+01          0.157619          0.362930
 Vib (V=0)    7  0.135466D+01          0.131831          0.303552
 Vib (V=0)    8  0.131500D+01          0.118926          0.273837
 Vib (V=0)    9  0.123231D+01          0.090720          0.208890
 Vib (V=0)   10  0.117183D+01          0.068866          0.158569
 Vib (V=0)   11  0.113039D+01          0.053228          0.122562
 Vib (V=0)   12  0.106499D+01          0.027344          0.062961
 Vib (V=0)   13  0.105989D+01          0.025260          0.058164
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.363872D+06          5.560948         12.804557
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1     111111111111 11111  1                                   
     7    5  5        10000000                                         8     655444443332 22111  0 99988 8  7 6 55   4 33222221      
     2    9  1        09983322                                         1     310983208629 40632  5 75376 0  1 6 98   4 94974217   85 
     7    7  0        37437585                                         2     917878774009 00975  2 48800 2  3 2 50   8 86686267   46 
 
     X    X  X        XXXXXXXX                                         X     XXXXXXXXXXXX XXXXX  X XXXXX X  X X XX   X XXXXXXXX   XX 
     X                XXXX  X                                          X     X    X       X  X         X X  X X XX                   
     X                 X                                               X     X               X         X X       X                   
     X                                                                 X     X               X         X X       X                   
     X                                                                 X     X               X           X       X                   
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010902    0.000003247    0.000002748
      2        6          -0.000001761    0.000003346   -0.000018613
      3        6           0.000025816   -0.000035831   -0.000001968
      4        6          -0.000006568    0.000030933    0.000028732
      5        8           0.000003535   -0.000024682   -0.000013830
      6        6           0.000004683    0.000009912    0.000000725
      7        7          -0.000012633    0.000005944    0.000007436
      8        8           0.000011734   -0.000001518   -0.000012042
      9        1          -0.000010085    0.000001010   -0.000007752
     10        1           0.000001913    0.000001058   -0.000003017
     11        1          -0.000000502    0.000003243   -0.000002535
     12        1           0.000001190    0.000007078    0.000007434
     13        1           0.000002658   -0.000001507    0.000002639
     14        1           0.000001806   -0.000001639    0.000004452
     15        1          -0.000002569   -0.000001573    0.000001601
     16        1          -0.000001941   -0.000002012    0.000005113
     17        1          -0.000000577    0.000000462   -0.000001362
     18        1          -0.000001047    0.000001892   -0.000000938
     19        1          -0.000004750    0.000000640    0.000001175
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035831 RMS     0.000010402
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.883730D+02  0.396564D+00 -0.265107D+01
      2   0.396564D+00  0.768743D+02  0.230137D+01
      3  -0.265107D+01  0.230137D+01  0.748587D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.245419D+01  0.701741D+00 -0.772078D+00
      2   0.643218D+01 -0.698789D+01  0.299153D+02
      3   0.775987D+01 -0.246552D+02  0.812959D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.694224D+02 -0.239121D+02  0.101532D+01
      2  -0.388815D+02  0.230357D+02 -0.785645D+01
      3  -0.305409D+02  0.876331D+00  0.684114D+01
      4  -0.284685D+02  0.441558D+02 -0.190647D+02
      5   0.951235D+01 -0.216109D+02  0.601205D+02
      6  -0.547209D+01  0.269864D+01 -0.862986D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.157338D+00  0.234172D+01 -0.331861D+01  0.422018D+01 -0.451720D+01
      2   0.234172D+01 -0.403485D+01  0.131593D+00 -0.451720D+01 -0.248114D+01
      3  -0.331861D+01  0.131593D+00  0.100258D+01 -0.288646D-02 -0.191822D+01
                 6             7             8             9            10 
      1  -0.288646D-02 -0.491231D+01  0.568629D+00 -0.216574D+00  0.247558D+01
      2  -0.191822D+01  0.568629D+00 -0.231469D+01  0.301938D+00 -0.262224D+01
      3   0.415301D+00 -0.216574D+00  0.301938D+00  0.723332D+01  0.399683D+01
                11            12            13            14            15 
      1  -0.262224D+01  0.399683D+01 -0.691926D+01  0.432443D+01  0.215591D+00
      2   0.391163D+01  0.360834D+00  0.432443D+01  0.433759D+01  0.290891D+01
      3   0.360834D+00 -0.284584D+00  0.215591D+00  0.290891D+01  0.152369D+00
                16            17            18            19            20 
      1   0.711097D+01 -0.289906D+00  0.108211D+00 -0.495178D+01  0.428971D+01
      2  -0.289906D+00  0.322184D+01  0.336372D+00  0.428971D+01 -0.161268D+01
      3   0.108211D+00  0.336372D+00 -0.488640D+01 -0.105857D+01  0.477567D+00
                21            22            23            24            25 
      1  -0.105857D+01  0.785173D+01 -0.126865D+01 -0.302917D+00 -0.348126D+01
      2   0.477567D+00 -0.126865D+01  0.167543D+00 -0.307661D+00  0.494322D+00
      3  -0.391426D+00 -0.302917D+00 -0.307661D+00  0.211919D+01 -0.778811D+00
                26            27            28            29            30 
      1   0.494322D+00 -0.778811D+00  0.183086D+01 -0.288295D+01 -0.992625D+00
      2  -0.193779D+01  0.212735D+01 -0.288295D+01  0.582737D+00  0.172747D+01
      3   0.212735D+01  0.664294D+01 -0.992625D+00  0.172747D+01  0.777965D+00
                31            32            33            34            35 
      1  -0.435408D+01 -0.623459D+00  0.212256D+01 -0.538409D+01  0.153010D+01
      2  -0.623459D+00 -0.557116D+00  0.668082D+00  0.153010D+01 -0.413383D+00
      3   0.212256D+01  0.668082D+00 -0.123479D+01  0.194104D+01 -0.991926D+00
                36            37            38            39            40 
      1   0.194104D+01  0.516377D+01  0.213279D+01 -0.172848D+01  0.461591D+00
      2  -0.991926D+00  0.213279D+01  0.203877D+01 -0.788324D+00  0.422707D+00
      3  -0.312554D+01 -0.172848D+01 -0.788324D+00  0.228983D+00 -0.103152D+01
                41            42            43            44            45 
      1   0.422707D+00 -0.103152D+01 -0.375116D+01 -0.191636D+01 -0.114736D+01
      2  -0.298250D+01 -0.172598D+01 -0.191636D+01 -0.225333D+01 -0.152510D+01
      3  -0.172598D+01 -0.773546D+00 -0.114736D+01 -0.152510D+01 -0.275488D+01
                46            47            48            49            50 
      1   0.113022D+01  0.312087D+01 -0.453275D+01  0.330218D+01 -0.332462D+01
      2   0.312087D+01 -0.310652D+01  0.145447D+00 -0.332462D+01 -0.236762D+01
      3  -0.453275D+01  0.145447D+00  0.784219D+00  0.487892D-01 -0.324650D+01
                51            52            53            54            55 
      1   0.487892D-01 -0.370063D+01 -0.348133D-01  0.343758D+00 -0.351421D+01
      2  -0.324650D+01 -0.348133D-01 -0.260155D+01 -0.104555D+00 -0.788089D+00
      3   0.292238D+00  0.343758D+00 -0.104555D+00  0.320719D+01 -0.203139D-02
                56            57            58            59            60 
      1  -0.788089D+00 -0.203139D-02 -0.239372D+01 -0.721688D+00  0.169945D+00
      2  -0.525263D+00 -0.223727D-01 -0.721688D+00  0.379889D+01 -0.171711D+01
      3  -0.223727D-01  0.130278D+01  0.169945D+00 -0.171711D+01 -0.159097D+01
                61            62            63            64            65 
      1  -0.173075D+00 -0.648602D+00  0.730289D+00 -0.660480D+01  0.249450D+01
      2  -0.648602D+00 -0.997479D+00 -0.598337D+00  0.249450D+01 -0.194059D+01
      3   0.730289D+00 -0.598337D+00 -0.363937D+01  0.290225D+01 -0.142230D+01
                66            67            68            69            70 
      1   0.290225D+01  0.482351D+01 -0.190672D+01 -0.128862D+01  0.691966D+01
      2  -0.142230D+01 -0.190672D+01  0.400440D+01  0.180276D+01 -0.860364D+00
      3  -0.203327D+01 -0.128862D+01  0.180276D+01  0.178371D+01 -0.314257D+01
                71            72            73            74            75 
      1  -0.860364D+00 -0.314257D+01  0.719461D+00 -0.755338D+00 -0.113137D+01
      2   0.254859D+01  0.215666D+01 -0.755338D+00  0.393432D+00  0.415620D-01
      3   0.215666D+01  0.626703D+01 -0.113137D+01  0.415620D-01  0.222510D+00
                76            77            78            79            80 
      1  -0.128234D+01  0.230816D+00  0.863859D-01 -0.131354D+01 -0.867708D-01
      2   0.230816D+00 -0.230890D+00 -0.130846D+01 -0.867708D-01 -0.171920D+01
      3   0.863859D-01 -0.130846D+01 -0.744516D+00  0.254346D+00 -0.837635D+00
                81            82            83            84            85 
      1   0.254346D+00 -0.136714D+01 -0.104573D+01 -0.101486D+01 -0.105193D+01
      2  -0.837635D+00 -0.104573D+01 -0.159378D+01 -0.167739D+00 -0.125023D+01
      3  -0.908726D+01 -0.101486D+01 -0.167739D+00 -0.446530D+00 -0.893353D-01
                86            87            88            89            90 
      1  -0.125023D+01 -0.893353D-01 -0.137129D+01 -0.143388D+00 -0.193898D+00
      2  -0.822555D+01 -0.163863D+01 -0.143388D+00 -0.187987D+01 -0.167040D+01
      3  -0.163863D+01 -0.167405D+01 -0.193898D+00 -0.167040D+01 -0.608719D+00
                91            92            93            94            95 
      1  -0.800190D+01 -0.396086D+01  0.191173D+00 -0.235986D+01 -0.204622D+01
      2  -0.396086D+01 -0.311404D+01 -0.598396D-01 -0.204622D+01 -0.249001D+01
      3   0.191173D+00 -0.598396D-01 -0.112184D+01  0.168365D+00 -0.506438D-01
                96            97            98            99           100 
      1   0.168365D+00  0.271007D+01  0.156309D+01 -0.105097D+01 -0.126546D+01
      2  -0.506438D-01  0.156309D+01  0.120255D+01 -0.646804D+00  0.180613D+00
      3  -0.642342D+00 -0.105097D+01 -0.646804D+00  0.302859D+00  0.618071D+00
               101           102           103           104           105 
      1   0.180613D+00  0.618071D+00  0.470993D+00 -0.348544D+00 -0.152025D+00
      2  -0.148032D+01 -0.372807D+00 -0.348544D+00  0.164829D+01  0.102307D+01
      3  -0.372807D+00 -0.170951D+01 -0.152025D+00  0.102307D+01  0.180799D+01
               106           107           108           109           110 
      1   0.161637D+01 -0.262617D-01 -0.957578D+00  0.590595D+01  0.230588D+01
      2  -0.262617D-01  0.237138D+01  0.197033D+01  0.230588D+01  0.287114D+01
      3  -0.957578D+00  0.197033D+01  0.400724D+01 -0.422850D+00  0.114585D+00
               111           112           113           114           115 
      1  -0.422850D+00  0.231438D+01  0.132171D+01  0.281952D+00 -0.875288D+00
      2   0.114585D+00  0.132171D+01  0.201780D+01 -0.725948D-01  0.246173D+00
      3   0.695040D+00  0.281952D+00 -0.725948D-01  0.714194D+00  0.401527D+00
               116           117           118           119           120 
      1   0.246173D+00  0.401527D+00  0.982992D+00  0.699388D+00  0.114344D+01
      2  -0.502155D+00  0.582598D+00  0.699388D+00  0.139723D+01  0.536809D+00
      3   0.582598D+00 -0.319402D+00  0.114344D+01  0.536809D+00  0.820318D+00
               121           122           123           124           125 
      1   0.127347D+01  0.124883D+01  0.941416D+00  0.825686D+00  0.410999D+00
      2   0.124883D+01  0.492883D+01  0.191782D+01  0.410999D+00  0.168217D+01
      3   0.941416D+00  0.191782D+01  0.303530D+01  0.496019D+00  0.146548D+01
               126           127           128           129           130 
      1   0.496019D+00 -0.498627D+01 -0.119836D+01  0.240580D+01 -0.123480D+01
      2   0.146548D+01 -0.119836D+01 -0.101323D+01  0.893746D+00 -0.554883D+00
      3   0.171588D+01  0.240580D+01  0.893746D+00 -0.333099D+01  0.525247D+00
               131           132           133           134           135 
      1  -0.554883D+00  0.525247D+00  0.195857D+01  0.502868D+00 -0.189513D+01
      2  -0.725766D+00  0.120405D+01  0.502868D+00  0.925356D+00 -0.721910D+00
      3   0.120405D+01 -0.999702D+00 -0.189513D+01 -0.721910D+00  0.268231D+01
               136           137           138           139           140 
      1   0.396675D+01 -0.254225D+01  0.255608D+01 -0.279848D+01  0.252163D+01
      2  -0.254225D+01  0.242514D+01 -0.139171D+01  0.252163D+01 -0.321423D+01
      3   0.255608D+01 -0.139171D+01  0.233984D+01 -0.143915D+01  0.228713D+01
               141           142           143           144           145 
      1  -0.143915D+01  0.142762D+01 -0.927562D+00  0.158192D+01  0.903190D-01
      2   0.228713D+01 -0.927562D+00  0.144466D+01 -0.150473D+01 -0.190401D+00
      3  -0.235916D+01  0.158192D+01 -0.150473D+01  0.191497D+01 -0.736684D+00
               146           147           148           149           150 
      1  -0.190401D+00 -0.736684D+00 -0.515578D+00  0.745715D+00  0.564284D-01
      2   0.204807D+00 -0.170405D-02  0.745715D+00 -0.126067D-01 -0.956558D+00
      3  -0.170405D-02 -0.782876D-01  0.564284D-01 -0.956558D+00 -0.377359D+00
               151           152           153           154           155 
      1  -0.188917D+01  0.138019D+00  0.193639D+01  0.228423D+01  0.153899D+01
      2   0.138019D+00 -0.108974D+01 -0.291232D+00  0.153899D+01  0.207147D+01
      3   0.193639D+01 -0.291232D+00 -0.965806D+01  0.413858D+00  0.101964D+00
               156           157           158           159           160 
      1   0.413858D+00  0.316386D+01  0.234303D+01 -0.160038D+00  0.151157D+01
      2   0.101964D+00  0.234303D+01  0.539991D+01  0.550337D+00  0.312560D+00
      3   0.401524D+00 -0.160038D+00  0.550337D+00  0.121913D+01  0.549684D+00
               161           162           163           164           165 
      1   0.312560D+00  0.549684D+00  0.629877D+01 -0.311825D+01  0.711325D+00
      2   0.122783D+01  0.796469D+00 -0.311825D+01  0.252493D+01 -0.304779D+00
      3   0.796469D+00 -0.188303D-01  0.711325D+00 -0.304779D+00  0.820684D+00
               166           167           168           169           170 
      1  -0.497184D+01  0.340335D+01 -0.150182D+00  0.277130D+01 -0.832723D+00
      2   0.340335D+01 -0.301581D+01  0.580207D+00 -0.832723D+00  0.108481D+01
      3  -0.150182D+00  0.580207D+00 -0.114299D+01  0.103971D+01 -0.844582D+00
               171 
      1   0.103971D+01
      2  -0.844582D+00
      3   0.124714D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.335560D+01  0.353009D+01  0.383302D+00  0.457665D+01  0.126693D+01
      2  -0.855441D+01  0.224714D+01  0.966006D+00  0.369001D+01 -0.918922D+01
      3  -0.641506D+01  0.883554D+01  0.110917D+01  0.167725D+02  0.104859D+02
                 6             7             8             9            10 
      1  -0.567419D+00  0.652235D+00  0.334763D+01  0.133418D+01  0.362037D+01
      2   0.837190D+00 -0.912797D+01  0.118449D+01  0.214366D+02  0.814488D+01
      3   0.407311D+01 -0.158211D+01  0.646950D+01 -0.918396D+00 -0.415771D+00
                11            12            13            14            15 
      1  -0.113849D+01  0.341985D+00 -0.784667D+00  0.424478D+01 -0.499422D+01
      2  -0.139807D+01  0.441992D+01 -0.469302D+01  0.450973D+01 -0.870232D-01
      3  -0.368946D+01 -0.176249D+01  0.145479D+01 -0.128275D+02 -0.308434D+01
                16            17            18            19            20 
      1  -0.554498D+00  0.173175D+01 -0.245612D+01 -0.242023D+01 -0.337680D+00
      2  -0.221186D+01  0.958672D+00 -0.478672D+01 -0.270409D+01  0.195743D+01
      3  -0.803693D+00 -0.240345D+01 -0.947343D+00  0.889544D+01 -0.604647D+01
                21            22            23            24            25 
      1  -0.184315D+01  0.243567D+01 -0.834953D+00  0.272240D+01 -0.293957D+01
      2   0.213876D+01  0.673257D+01 -0.165039D+01  0.220011D+01 -0.762280D+01
      3   0.675994D+00  0.976331D+00  0.159447D+01 -0.113600D+01 -0.207822D+01
                26            27            28            29            30 
      1   0.464011D+01 -0.238491D+01  0.998570D+00  0.398509D+01  0.217301D+01
      2   0.983786D+00 -0.169532D+01 -0.534086D+01 -0.182138D+01 -0.551385D+01
      3   0.108234D+01  0.482905D+00 -0.999904D+01  0.298225D+01 -0.139043D+01
                31            32            33            34            35 
      1   0.110247D+00 -0.861001D+01 -0.652391D+00  0.211190D+00  0.161057D+01
      2   0.258480D+01  0.147318D+01  0.343713D+00 -0.103881D+02  0.602632D+00
      3   0.239497D+01  0.411891D+01 -0.151641D+01 -0.575777D+01 -0.706203D+01
                36            37            38            39            40 
      1   0.720393D+01 -0.299391D+01 -0.784029D+00 -0.466628D+00 -0.662308D-01
      2   0.915061D+01  0.562862D+01  0.291582D+01  0.884568D+00 -0.277676D+01
      3  -0.228683D+01 -0.931854D-01 -0.403640D+00  0.709512D+00  0.670877D+01
                41            42            43            44            45 
      1   0.261421D+01 -0.435853D+01  0.304187D+01  0.381925D+01 -0.321109D+01
      2   0.252826D+01  0.202588D+01 -0.520626D+01  0.102129D+01  0.588811D+01
      3  -0.717589D+01 -0.236865D+01  0.241634D+01 -0.234541D+01 -0.280784D+01
                46            47            48            49            50 
      1   0.277586D+01 -0.564037D+01  0.342171D+00 -0.603983D+01 -0.756789D+01
      2  -0.105224D+02 -0.616050D+01  0.134524D+02 -0.443342D+01  0.160909D+01
      3  -0.521945D+01  0.149274D+00  0.217919D+01  0.452632D+01  0.594257D+01
                51            52            53            54            55 
      1  -0.959525D+01 -0.228854D+00 -0.344527D+01  0.282169D+01  0.124268D+01
      2  -0.227978D+00  0.599735D+01  0.245469D+00  0.222298D+01 -0.206934D+01
      3   0.395021D+01  0.206345D+01  0.322787D+01  0.215102D+00 -0.145697D+02
                56            57            58            59            60 
      1   0.255402D+01 -0.273147D+01  0.496441D+00 -0.172839D+01 -0.337997D+01
      2   0.268241D+00  0.235758D+01 -0.138147D+01 -0.314296D+00 -0.136196D+01
      3  -0.747107D+01 -0.573726D+00  0.583922D+01 -0.695967D+00  0.635045D+00
                61            62            63            64            65 
      1  -0.199228D+01  0.735955D+01  0.105954D+02 -0.339536D+00 -0.326772D+01
      2  -0.160869D+01 -0.112649D+00  0.111381D+01 -0.183722D+01  0.261223D+01
      3  -0.260114D+01 -0.191783D+01  0.352885D+01  0.255065D+01 -0.874882D+01
                66            67            68            69            70 
      1   0.106179D+01  0.702636D+00  0.290512D+01 -0.327961D+01 -0.117145D+00
      2   0.976716D+01  0.158073D+01 -0.474868D+01 -0.354796D+01  0.168140D+01
      3  -0.969280D+00  0.143102D+01  0.628073D+01  0.358807D+01  0.371214D+01
                71            72            73            74            75 
      1   0.530795D+01 -0.250612D+01  0.326191D+00 -0.559535D+00  0.362998D+00
      2  -0.375603D+01 -0.140634D+02  0.822755D+00 -0.611932D+00 -0.114281D+00
      3   0.768884D+01  0.364298D+01 -0.326172D+00  0.506009D-01 -0.487039D+00
                76            77            78            79            80 
      1  -0.737683D+00  0.636681D+00 -0.101697D+00  0.513357D+00  0.363931D+01
      2  -0.105037D+01  0.131920D+00 -0.292954D+00 -0.444831D+01 -0.515305D-01
      3   0.160436D+01 -0.206314D+00 -0.212992D+00  0.582794D+00 -0.211527D+00
                81            82            83            84            85 
      1   0.154314D+01 -0.130687D+01  0.117065D+00 -0.629414D+00 -0.329073D+00
      2   0.482512D+00 -0.176248D+01 -0.296585D+00  0.561112D-01 -0.439632D+00
      3  -0.167622D-01  0.372331D+01  0.162974D+01  0.114651D+01  0.573896D+01
                86            87            88            89            90 
      1   0.390837D+00 -0.395127D+01 -0.864894D-01  0.332291D+00 -0.379424D+00
      2  -0.161818D+01 -0.143833D+01 -0.204955D+01 -0.169394D+01 -0.519062D+00
      3   0.921219D+01  0.205203D+01  0.211368D+01  0.193502D+01  0.185896D+01
                91            92            93            94            95 
      1   0.336868D+01  0.199752D+01 -0.191028D+01  0.204857D+01  0.187025D+01
      2  -0.540600D+01 -0.278221D+01  0.382255D+01 -0.260369D+01 -0.178904D+01
      3   0.134995D+01 -0.398080D+01 -0.725837D+00  0.137123D-01 -0.231626D+01
                96            97            98            99           100 
      1  -0.965457D+00 -0.178478D+01 -0.685045D+00  0.126813D+01 -0.184174D+01
      2   0.164725D+01  0.296764D+01  0.182859D+01 -0.232088D+01  0.485416D+00
      3  -0.445624D-01  0.286898D+00  0.196527D+01 -0.353334D+00 -0.265111D+01
               101           102           103           104           105 
      1  -0.345376D-01  0.439263D+01 -0.163236D+00 -0.218111D+01 -0.487887D+01
      2   0.618901D+00  0.574373D-01  0.464820D+00  0.101099D+00 -0.871252D-02
      3  -0.940799D+00  0.157930D+01  0.380935D+00 -0.843966D+00 -0.193023D+00
               106           107           108           109           110 
      1   0.291056D+01 -0.328904D+01 -0.122837D+02 -0.684410D+00 -0.164529D+01
      2  -0.246601D+01 -0.291200D-01 -0.123326D+01  0.258149D+01  0.561623D+00
      3   0.519895D+01 -0.177748D+00 -0.323212D+01  0.175826D+02  0.152114D+01
               111           112           113           114           115 
      1  -0.255346D+01 -0.133481D+01 -0.699455D+00 -0.140858D+01 -0.815805D+00
      2   0.187855D+01  0.693698D+00  0.500732D+00  0.107358D+01 -0.989937D+00
      3  -0.488798D+00  0.452364D+01  0.232598D+01  0.837488D+00 -0.167776D+01
               116           117           118           119           120 
      1   0.253033D+00 -0.627028D+00  0.205808D+01  0.299740D+01  0.123446D+01
      2   0.467411D+00  0.122290D+00  0.339822D+00 -0.586800D+00  0.513811D+00
      3   0.617595D+00  0.435100D+00 -0.653531D+00 -0.293989D+01 -0.103612D+01
               121           122           123           124           125 
      1   0.233785D+01  0.133585D+02  0.255325D+01  0.145180D+01  0.513324D+01
      2  -0.228962D+01  0.246994D+00  0.324028D+01 -0.212386D+01  0.957732D+00
      3   0.127959D+00 -0.817983D+01 -0.222618D+01 -0.666138D+00 -0.192752D+01
               126           127           128           129           130 
      1   0.336098D+01 -0.177462D+00 -0.235966D+01 -0.125127D+01 -0.950864D+00
      2   0.119557D+01  0.158206D+02  0.315480D+01 -0.608610D+01  0.282260D+01
      3  -0.230721D+01  0.549396D+01  0.199062D+00 -0.200958D+01  0.236444D+01
               131           132           133           134           135 
      1  -0.845110D-02  0.340157D+00 -0.435692D+00  0.242550D+01  0.504427D+00
      2   0.229932D+01 -0.177599D+01 -0.821148D+01 -0.185814D+01  0.558554D+01
      3   0.693177D+00 -0.153270D+01 -0.190113D+01 -0.499969D+00  0.200749D+01
               136           137           138           139           140 
      1  -0.265831D+01  0.450594D+01  0.414994D+00  0.355851D+01 -0.463270D+01
      2  -0.402793D+01  0.255790D+01  0.112044D+01  0.392765D+01 -0.135218D+01
      3  -0.211859D+00 -0.309916D+01  0.267608D+00  0.221615D+00  0.325443D+01
               141           142           143           144           145 
      1   0.524909D+00 -0.601839D+00  0.272564D+01 -0.691140D+00 -0.214103D+00
      2  -0.145633D+01 -0.265453D+01  0.555206D-01  0.300469D+00 -0.252375D+01
      3  -0.211890D+01 -0.512297D+00 -0.184664D+01  0.819551D+00  0.742776D+00
               146           147           148           149           150 
      1  -0.132660D+00 -0.299626D-01 -0.539502D+00 -0.351088D+00 -0.162211D+00
      2  -0.876124D-01  0.328489D+00 -0.302511D+00 -0.132505D+01 -0.916866D+00
      3  -0.121644D+01  0.298672D+00 -0.908749D+00 -0.637964D+00  0.210082D+01
               151           152           153           154           155 
      1   0.472280D+00  0.369999D+01 -0.283556D+01 -0.112110D+01 -0.182724D+01
      2  -0.365024D+00 -0.619670D+00 -0.239384D+02  0.282230D+01  0.167109D+01
      3   0.516345D+00  0.305291D+01  0.288585D+00 -0.485716D+01 -0.690043D+01
               156           157           158           159           160 
      1  -0.799536D+00 -0.185347D+01 -0.403416D+01 -0.244406D+01 -0.351316D+00
      2   0.234135D+01  0.152836D+01  0.417027D+01  0.439324D+01  0.107627D+01
      3  -0.444090D+00 -0.410607D+01 -0.187578D+02 -0.220990D+01 -0.378677D+00
               161           162           163           164           165 
      1   0.294479D+00 -0.106507D+01  0.272285D+01 -0.195992D+01  0.150784D+01
      2   0.235604D+01  0.710848D+00  0.677768D+01 -0.367007D+01  0.503895D+01
      3  -0.418936D+01 -0.219303D+01  0.487465D+01 -0.836770D+01  0.770345D+00
               166           167           168           169           170 
      1  -0.214230D+01  0.221083D+01 -0.283109D+01  0.853637D+00 -0.463874D+00
      2  -0.405476D+01  0.441645D+01 -0.464713D+01  0.356541D+01 -0.273815D+01
      3  -0.587845D+01  0.793079D+01 -0.191852D+01  0.106832D+01 -0.345785D+01
               171 
      1   0.959389D+00
      2   0.167311D+01
      3   0.178335D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.106840D+01  0.127896D+02 -0.172165D+02  0.139423D+02 -0.270435D+02
      2  -0.566674D+01 -0.465579D+01  0.792524D+01 -0.443693D+01  0.803699D+01
      3   0.673514D+01 -0.813379D+01  0.929124D+01 -0.950541D+01  0.190065D+02
      4   0.167045D+02 -0.238536D+02  0.290049D+01 -0.330509D+02 -0.102008D+02
      5  -0.182985D+02 -0.566679D+00  0.594829D+01 -0.118365D+01 -0.759327D+01
      6   0.647561D+00  0.267854D+01 -0.786882D+00  0.227859D+01  0.395663D+01
                 6             7             8             9            10 
      1  -0.145175D+00 -0.220898D+02  0.279293D+01  0.126144D+02 -0.930490D+01
      2   0.110836D+01  0.702640D+01  0.177677D+00  0.894435D+01 -0.196689D+00
      3  -0.963187D+00  0.150634D+02 -0.297061D+01 -0.215587D+02  0.950159D+01
      4  -0.965930D+01  0.584201D+01 -0.127674D+02  0.235408D+01 -0.612538D+01
      5   0.107498D+01  0.214830D+01  0.143911D+01  0.308330D+02  0.151347D+02
      6   0.132716D+01  0.413219D+00  0.175942D+01 -0.715152D+01 -0.513448D+01
                11            12            13            14            15 
      1  -0.133591D+01  0.128721D+02 -0.217883D+01  0.194329D+02  0.380680D+01
      2  -0.130592D+01 -0.886602D+01  0.933463D-01 -0.231114D+02 -0.577745D+01
      3   0.264183D+01 -0.400610D+01  0.208548D+01  0.367857D+01  0.197065D+01
      4   0.890677D+01 -0.263236D+01  0.184915D+02  0.356062D+01  0.471611D+01
      5   0.254407D+00 -0.171593D+01  0.436440D+00  0.487390D+01  0.360514D+00
      6   0.205030D+00  0.279871D+00  0.707894D+00 -0.955536D+01  0.326092D+01
                16            17            18            19            20 
      1   0.167531D+02  0.131447D+01  0.197247D+01 -0.344230D+01 -0.272575D+01
      2  -0.811961D+01 -0.433767D+01 -0.238192D+01  0.754692D+01 -0.774222D+00
      3  -0.863352D+01  0.302320D+01  0.409443D+00 -0.410462D+01  0.349997D+01
      4  -0.540868D+01  0.517485D+01  0.112989D+01 -0.704268D+00 -0.205479D+01
      5  -0.806284D+00  0.147785D+01 -0.121047D+02 -0.531128D+01 -0.910502D+00
      6  -0.692777D+00 -0.207508D+01  0.369597D+01  0.201751D+01 -0.216732D+00
                21            22            23            24            25 
      1  -0.229549D+01  0.258827D+01 -0.100010D+01  0.140157D+01 -0.848725D+01
      2   0.383257D+01 -0.441119D+01  0.652677D+00  0.367416D+01  0.394000D+01
      3  -0.153709D+01  0.182292D+01  0.347426D+00 -0.507573D+01  0.454725D+01
      4   0.682650D+00 -0.127527D+02  0.256749D+01 -0.185038D+01  0.407242D+01
      5   0.165293D+01  0.810115D+00  0.822420D+00  0.393747D+01  0.233970D+01
      6   0.258051D-01 -0.299354D+01  0.358526D+01 -0.705820D+01 -0.122703D+01
                26            27            28            29            30 
      1   0.574828D+01  0.891567D+01 -0.668323D+01  0.976806D+01  0.119441D+00
      2  -0.148006D+01  0.172106D+02  0.297681D+01 -0.658636D+01 -0.383391D+01
      3  -0.426823D+01 -0.261262D+02  0.370642D+01 -0.318169D+01  0.371447D+01
      4  -0.842196D-01 -0.172587D+01  0.940547D+01 -0.842828D+01 -0.835076D+01
      5  -0.595455D+00  0.542188D+00  0.679070D+01 -0.768219D+01 -0.125933D+02
      6   0.463328D+01 -0.107111D+01 -0.532440D+01  0.103467D+01 -0.218173D+01
                31            32            33            34            35 
      1   0.170128D+02  0.525390D+01 -0.425638D+01  0.169758D+02 -0.194324D+01
      2  -0.936769D+01 -0.692393D+01  0.863321D+01 -0.942845D+01 -0.383086D+01
      3  -0.764515D+01  0.167003D+01 -0.437683D+01 -0.754733D+01  0.577410D+01
      4  -0.301902D+01 -0.174427D+01 -0.115928D+01 -0.972643D+01  0.780613D+01
      5  -0.169176D+02 -0.542801D+00 -0.329955D+01 -0.119541D+02  0.911977D+00
      6  -0.308455D+01 -0.696245D+01 -0.221839D+01 -0.760886D+00 -0.221482D+01
                36            37            38            39            40 
      1  -0.748250D+01 -0.187846D+02 -0.930124D+01  0.720395D+01 -0.885890D+01
      2   0.560323D+01  0.373810D+01  0.348364D+01 -0.431868D+01  0.382909D+01
      3   0.187927D+01  0.150465D+02  0.581760D+01 -0.288527D+01  0.502981D+01
      4   0.368729D+01 -0.166284D+02 -0.497654D+01  0.637618D+01  0.407145D+01
      5   0.149800D+02  0.767907D+01  0.375760D+01  0.770541D+01  0.817946D+01
      6  -0.562402D+01  0.532490D+01  0.242003D+01  0.141064D+01  0.592601D+01
                41            42            43            44            45 
      1  -0.167565D+02 -0.121674D+01  0.126934D+02  0.158054D+01 -0.407444D+01
      2   0.214371D+02  0.486067D+00 -0.491521D+01  0.240974D+01 -0.391437D+01
      3  -0.468060D+01  0.730675D+00 -0.777818D+01 -0.399028D+01  0.798881D+01
      4   0.137905D+02  0.778611D+01  0.145467D+02  0.114869D+02  0.524415D+01
      5   0.796543D+01  0.766335D+01  0.124557D+02  0.823248D+01  0.148177D+02
      6   0.891135D+01  0.947173D+01  0.344972D+01  0.100674D+02  0.901787D+01
                46            47            48            49            50 
      1   0.122644D+02  0.652108D+01 -0.115515D+02  0.524057D+01 -0.398738D+01
      2  -0.773864D+00 -0.231213D-01  0.299642D+01  0.384729D+00  0.980723D+01
      3  -0.114905D+02 -0.649796D+01  0.855513D+01 -0.562530D+01 -0.581985D+01
      4   0.621551D+01 -0.141336D+02  0.904312D+01 -0.159875D+02 -0.187934D+01
      5  -0.615564D+01  0.102276D+02 -0.117154D+02  0.829017D+01 -0.185979D+02
      6   0.162168D+02 -0.112635D+02 -0.985267D-01 -0.128568D+02 -0.489623D+01
                51            52            53            54            55 
      1   0.895829D+00 -0.101253D+02 -0.488858D+00 -0.694271D+01  0.983266D+00
      2   0.384469D+01  0.243443D+01  0.216967D+01 -0.567399D+01 -0.333680D+01
      3  -0.474052D+01  0.769083D+01 -0.168082D+01  0.126167D+02  0.235353D+01
      4  -0.119571D+02  0.712600D+01 -0.839201D+01 -0.116282D-01 -0.185387D+02
      5   0.798814D+00 -0.121161D+02 -0.599056D+00  0.993757D+01  0.596816D+01
      6  -0.145114D+02  0.854538D-01 -0.104489D+02 -0.252095D+00 -0.165070D+01
                56            57            58            59            60 
      1  -0.185709D+00  0.152812D+01 -0.225437D+01 -0.208357D+02  0.365145D+01
      2  -0.408162D+01 -0.123495D+01  0.543014D+00  0.306175D+02 -0.657508D+01
      3   0.426733D+01 -0.293175D+00  0.171135D+01 -0.978184D+01  0.292363D+01
      4  -0.228018D+01 -0.217688D+01  0.315937D+01 -0.437453D+01  0.733259D+00
      5  -0.122147D+01  0.380783D+01 -0.608977D-01 -0.165000D+00 -0.309517D+01
      6  -0.749872D-01  0.374497D+01  0.116427D+01 -0.648153D+01  0.648660D+01
                61            62            63            64            65 
      1   0.867811D+00  0.668721D+01 -0.184349D+00  0.344880D+02 -0.908159D+01
      2  -0.312910D+01 -0.470983D+01 -0.626511D+01 -0.185106D+02  0.318190D+01
      3   0.226129D+01 -0.197738D+01  0.644946D+01 -0.159774D+02  0.589969D+01
      4  -0.300281D+01  0.380835D+00  0.285488D+01 -0.148294D+02  0.170477D+02
      5   0.300301D+01  0.204824D-01  0.149164D+01 -0.171633D+02  0.764953D+01
      6   0.249008D+01  0.399088D+00 -0.176166D+02  0.227058D+01 -0.316059D+01
                66            67            68            69            70 
      1  -0.869796D+01 -0.149214D+02  0.701997D+00  0.131535D+01 -0.159167D+02
      2   0.934158D+01  0.621238D+01  0.524262D+01 -0.248432D+01  0.105822D+02
      3  -0.643616D+00  0.870898D+01 -0.594462D+01  0.116897D+01  0.533453D+01
      4   0.774620D+01  0.155037D+02 -0.166987D+02 -0.898287D+01  0.497631D+01
      5   0.192411D+02  0.787792D+01 -0.912994D+01 -0.659967D+01  0.221526D+02
      6  -0.184790D+01 -0.430921D+01  0.348120D+01  0.772397D+01 -0.334270D+01
                71            72            73            74            75 
      1  -0.580372D+00  0.233538D+01  0.101946D+01  0.466079D+00 -0.468268D-01
      2   0.479109D+00 -0.146599D+02 -0.513857D+01  0.196895D+00  0.181881D+00
      3   0.101263D+00  0.123245D+02  0.411911D+01 -0.662973D+00 -0.135054D+00
      4  -0.132215D+02 -0.106054D+02 -0.468165D+00  0.179632D+01 -0.373361D+00
      5  -0.878048D+01 -0.296197D+02 -0.209830D-01  0.407302D+00  0.652532D+01
      6   0.768009D+01  0.414783D+01 -0.387617D+00  0.483222D+00 -0.509870D+00
                76            77            78            79            80 
      1   0.875958D+00 -0.358636D+01 -0.109359D+01  0.122832D+01  0.276439D+00
      2   0.252720D+00 -0.119945D+01 -0.291923D+01  0.347204D+00 -0.460582D+01
      3  -0.112868D+01  0.478581D+01  0.401282D+01 -0.157552D+01  0.432938D+01
      4   0.251841D+01 -0.224311D+00  0.411262D+00  0.213062D-01 -0.138795D+00
      5   0.408624D+00 -0.183824D+00 -0.349128D+00  0.533817D+01 -0.893802D-01
      6   0.710492D+00  0.667463D+00  0.750093D+01  0.829760D+00  0.481263D+01
                81            82            83            84            85 
      1  -0.200609D+02 -0.852115D+00 -0.415251D+01 -0.254304D+01 -0.558755D+01
      2  -0.199663D+02  0.427109D+01  0.543381D+01  0.222970D+01  0.577098D+01
      3   0.400272D+02 -0.341897D+01 -0.128130D+01  0.313340D+00 -0.183435D+00
      4   0.892964D+00  0.916545D+00  0.387181D+01  0.908826D+00  0.258181D+01
      5   0.301647D+00 -0.171889D+01  0.784872D+00  0.101648D+01  0.124514D+01
      6  -0.151718D+01  0.181769D+01  0.171781D+01  0.817067D+00  0.116146D+01
                86            87            88            89            90 
      1  -0.199691D+02 -0.271241D+01 -0.393679D+01 -0.418495D+01 -0.512018D+01
      2   0.314899D+02  0.576787D+01  0.253554D+01  0.443708D+01  0.333350D+01
      3  -0.115208D+02 -0.305546D+01  0.140126D+01 -0.252137D+00  0.178669D+01
      4  -0.102087D+02 -0.214220D+01  0.436305D+00 -0.242618D+01 -0.168463D+01
      5  -0.247478D+01 -0.344895D+01  0.222409D+01 -0.225095D+01 -0.200726D+00
      6   0.854482D+01  0.677775D+01  0.139163D+01  0.900283D+01  0.451998D+01
                91            92            93            94            95 
      1   0.387577D+02  0.153710D+02 -0.208832D+01  0.650502D+01  0.518432D+01
      2  -0.134281D+02 -0.273492D+01 -0.122048D+00  0.105936D+01  0.267044D+01
      3  -0.253296D+02 -0.126360D+02  0.221037D+01 -0.756438D+01 -0.785476D+01
      4   0.294257D+02  0.194807D+02 -0.503137D+00  0.140040D+02  0.133446D+02
      5   0.316552D+01  0.194212D+01  0.528125D+01  0.715995D+00  0.110046D+01
      6  -0.903872D+00  0.322758D+00  0.241956D+01  0.453694D+00  0.484770D+00
                96            97            98            99           100 
      1  -0.636065D+00 -0.116745D+02 -0.556308D+01  0.351153D+01  0.967086D-01
      2  -0.271274D+00  0.348392D+01  0.610549D+00 -0.140051D+01  0.329725D+00
      3   0.907339D+00  0.819057D+01  0.495253D+01 -0.211102D+01 -0.426433D+00
      4  -0.290796D+00 -0.106514D+02 -0.730438D+01  0.452569D+01 -0.151601D+01
      5   0.228468D+01  0.568759D+01  0.314228D+01 -0.175168D+01 -0.807122D+00
      6   0.198495D+01  0.355071D+01  0.261069D+01 -0.143833D+01  0.277214D+01
               101           102           103           104           105 
      1   0.341376D+01  0.178831D+00  0.106958D+01 -0.421222D+01 -0.290351D+01
      2  -0.522057D+01 -0.149625D+01 -0.155861D+01  0.678374D+01  0.405960D+01
      3   0.180681D+01  0.131742D+01  0.489026D+00 -0.257152D+01 -0.115609D+01
      4   0.293214D+01  0.203159D+01  0.260000D+01 -0.169064D+01 -0.761967D+00
      5   0.348511D+00  0.790005D+00  0.476783D+00 -0.669294D+00  0.184352D+00
      6  -0.104488D+00 -0.598644D+01 -0.723361D+00  0.407351D+01  0.881844D+01
               106           107           108           109           110 
      1   0.724213D+00 -0.744765D+01 -0.857553D+01  0.570797D+01 -0.313273D+01
      2  -0.888111D-01  0.889933D+01  0.601887D+01  0.423960D+01  0.101132D+02
      3  -0.635402D+00 -0.145168D+01  0.255666D+01 -0.994757D+01 -0.698045D+01
      4   0.406602D+01 -0.873810D+00 -0.385846D+01  0.212502D+02  0.144690D+02
      5   0.127435D+01 -0.740206D+00 -0.307648D+00 -0.425580D+01 -0.911670D+00
      6  -0.470498D+01  0.109581D+02  0.168657D+02 -0.214749D+01 -0.894698D+00
               111           112           113           114           115 
      1  -0.115412D+01  0.281872D+00 -0.129681D+01  0.383850D+00 -0.161540D+01
      2   0.106431D+01  0.450465D+01  0.676224D+01 -0.565057D+00  0.226844D+01
      3   0.898092D-01 -0.478652D+01 -0.546543D+01  0.181207D+00 -0.653048D+00
      4  -0.113940D+01  0.121890D+02  0.857006D+01  0.116220D+01 -0.951433D+00
      5   0.251212D+01 -0.296770D+00 -0.530296D+00  0.147251D+01  0.347073D+01
      6   0.302424D+01  0.521924D+00 -0.670279D+00  0.289716D+01  0.172062D+01
               116           117           118           119           120 
      1   0.696767D+00 -0.821981D+00  0.224108D+01  0.216737D+01  0.196267D+01
      2   0.267336D+00  0.752757D+00 -0.324027D+01 -0.245940D+01 -0.311729D+01
      3  -0.964103D+00  0.692240D-01  0.999187D+00  0.292026D+00  0.115461D+01
      4   0.864706D+00  0.201489D+01  0.357389D+01  0.674352D+01  0.143958D+01
      5   0.980605D+00 -0.104705D+01  0.604899D+01  0.409975D+01  0.775988D+01
      6   0.385665D+01 -0.377199D+00  0.203236D+01  0.529361D+01  0.185149D+01
               121           122           123           124           125 
      1   0.334459D+01 -0.291246D+01 -0.480864D+01  0.613287D+00 -0.286702D+01
      2  -0.397087D+01 -0.533575D+00 -0.667553D+01 -0.207704D+01 -0.346325D+01
      3   0.626284D+00  0.344604D+01  0.114842D+02  0.146375D+01  0.633026D+01
      4   0.645319D+01  0.133890D+02  0.680164D+01  0.691653D+00  0.471224D+01
      5   0.722126D+01  0.105133D+02  0.106087D+02  0.586757D+01  0.565131D+01
      6   0.584419D+01  0.182351D+02  0.103841D+02  0.226833D+01  0.967370D+01
               126           127           128           129           130 
      1  -0.400332D+01 -0.932050D+01 -0.534044D+01  0.128714D+02 -0.407984D+01
      2  -0.418363D+01  0.245324D+00  0.209556D+01  0.249272D+01  0.222023D+01
      3   0.818695D+01  0.907517D+01  0.324488D+01 -0.153641D+02  0.185960D+01
      4   0.405607D+01  0.564286D+01  0.330850D+01 -0.358729D+01  0.426939D+01
      5   0.625143D+01 -0.125035D+02 -0.372273D+01  0.568683D+01 -0.363296D+01
      6   0.651461D+01 -0.722145D+01 -0.555440D+01  0.717818D+01 -0.336047D+01
               131           132           133           134           135 
      1  -0.432503D+01  0.397464D+01  0.911138D+01  0.356144D+01 -0.113787D+02
      2   0.187364D+01 -0.120850D+01  0.167805D+01 -0.430619D+00 -0.416680D+01
      3   0.245138D+01 -0.276614D+01 -0.107894D+02 -0.313082D+01  0.155454D+02
      4   0.170946D+01  0.452496D+00 -0.254421D+01  0.138875D-01  0.217257D+01
      5   0.162628D+00  0.657048D+00  0.798036D+01  0.144953D+01 -0.497374D+01
      6  -0.403639D+01  0.721771D+01  0.442185D+01  0.602045D+01 -0.615297D+01
               136           137           138           139           140 
      1   0.114496D+02 -0.427107D+01  0.226968D+01 -0.469248D+01 -0.203076D+01
      2  -0.750129D+01  0.574804D+00 -0.580873D+01  0.330794D+00  0.526231D+01
      3  -0.394828D+01  0.369627D+01  0.353906D+01  0.436168D+01 -0.323155D+01
      4  -0.157768D+02  0.142847D+02 -0.878619D+01  0.150947D+02 -0.157643D+02
      5   0.198060D+02 -0.120839D+02  0.166789D+02 -0.128857D+02  0.133233D+02
      6  -0.116135D+02  0.114544D+02 -0.889001D+01  0.111314D+02 -0.149609D+02
               141           142           143           144           145 
      1   0.331469D+01  0.144315D+01  0.228627D+01 -0.192240D+01  0.680730D+00
      2   0.949381D+00 -0.430663D+01  0.115493D+01 -0.436447D+01 -0.260473D+01
      3  -0.426407D+01  0.286348D+01 -0.344120D+01  0.628687D+01  0.192400D+01
      4   0.957111D+01 -0.547430D+01  0.615271D+01 -0.737936D+01 -0.140634D+01
      5  -0.112691D+02  0.122206D+02 -0.791518D+01  0.115864D+02 -0.351441D+01
      6   0.132796D+02 -0.658811D+01  0.983776D+01 -0.967933D+01  0.767479D+00
               146           147           148           149           150 
      1  -0.147708D+01 -0.492856D+01 -0.191366D+01  0.666817D+00 -0.124714D+01
      2   0.502526D+00  0.261889D+01  0.582988D+00 -0.123681D+01  0.667744D+00
      3   0.974553D+00  0.230967D+01  0.133067D+01  0.569997D+00  0.579395D+00
      4   0.277250D+01  0.338239D+00  0.543247D+01 -0.105861D+00 -0.419081D+01
      5   0.132775D+00  0.630534D+01  0.692138D+00 -0.391575D+01 -0.133117D+01
      6   0.862310D-01  0.481697D+00 -0.140505D+01  0.138973D+01  0.675189D+01
               151           152           153           154           155 
      1  -0.750893D+01 -0.998978D+00 -0.127485D+02  0.160809D+02  0.927257D+01
      2   0.834834D+01  0.120877D+00 -0.201925D+02 -0.535845D+01 -0.303659D+01
      3  -0.839409D+00  0.878100D+00  0.329410D+02 -0.107224D+02 -0.623598D+01
      4   0.107047D+01 -0.533350D+01 -0.241368D+01  0.978680D+01  0.155783D+02
      5   0.153856D+02 -0.170558D+01 -0.455984D+02  0.127373D+01  0.314097D+00
      6  -0.202158D+01  0.636182D+01  0.815135D+01 -0.111007D+01 -0.223957D+01
               156           157           158           159           160 
      1   0.278865D+01  0.182448D+02  0.111135D+02  0.226735D+00  0.869214D+01
      2  -0.735210D+00 -0.785731D+01  0.286017D+01  0.143825D+01 -0.375200D+01
      3  -0.205344D+01 -0.103875D+02 -0.139737D+02 -0.166498D+01 -0.494014D+01
      4   0.114368D+01  0.190000D+02  0.296433D+02  0.302055D+01  0.259909D+01
      5   0.311585D+01 -0.205653D+01  0.301139D+01  0.760421D+01  0.391481D+01
      6   0.444083D+00 -0.160470D+01 -0.483911D+01  0.174776D+01  0.121857D+01
               161           162           163           164           165 
      1   0.179619D+01  0.615935D+00  0.435169D+02 -0.182367D+02  0.519276D+01
      2   0.306232D+00 -0.184675D+01 -0.165068D+02  0.503183D+01 -0.138284D+01
      3  -0.210243D+01  0.123082D+01 -0.270102D+02  0.132049D+02 -0.380992D+01
      4   0.642918D+01  0.447935D+01 -0.265315D+02  0.214095D+02 -0.275980D+01
      5   0.503694D+01  0.373747D+00  0.123140D+01 -0.518000D+00  0.685586D+01
      6   0.172675D+01  0.112409D+01  0.162652D+01 -0.218729D+01 -0.137624D+01
               166           167           168           169           170 
      1  -0.248833D+02  0.143531D+02 -0.148550D+01  0.140194D+02 -0.420065D+01
      2   0.634706D+01  0.200759D+01 -0.108440D+01 -0.506032D+01  0.291326D+00
      3   0.185362D+02 -0.163607D+02  0.256990D+01 -0.895908D+01  0.390932D+01
      4   0.278142D+02 -0.232870D+02  0.368888D+01 -0.768901D+01  0.752033D+01
      5   0.680020D+00  0.203003D+01 -0.725381D+01  0.778624D+01 -0.526971D+01
      6  -0.221332D+01  0.137383D+01  0.301606D+01 -0.210530D+01  0.221240D+01
               171 
      1   0.344426D+01
      2  -0.275275D+01
      3  -0.691506D+00
      4  -0.573274D+01
      5   0.183727D+01
      6  -0.855690D+00
 Leave Link  716 at Thu Aug 12 20:41:20 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.883730D+02  0.396564D+00 -0.265107D+01
      2   0.396564D+00  0.768743D+02  0.230137D+01
      3  -0.265107D+01  0.230137D+01  0.748587D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.245419D+01  0.701741D+00 -0.772078D+00
      2   0.643218D+01 -0.698789D+01  0.299153D+02
      3   0.775987D+01 -0.246552D+02  0.812959D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.694224D+02 -0.239121D+02  0.101532D+01
      2  -0.388815D+02  0.230357D+02 -0.785645D+01
      3  -0.305409D+02  0.876331D+00  0.684114D+01
      4  -0.284685D+02  0.441558D+02 -0.190647D+02
      5   0.951235D+01 -0.216109D+02  0.601205D+02
      6  -0.547209D+01  0.269864D+01 -0.862986D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.157338D+00  0.234172D+01 -0.331861D+01  0.422018D+01 -0.451720D+01
      2   0.234172D+01 -0.403485D+01  0.131593D+00 -0.451720D+01 -0.248114D+01
      3  -0.331861D+01  0.131593D+00  0.100258D+01 -0.288646D-02 -0.191822D+01
                 6             7             8             9            10 
      1  -0.288646D-02 -0.491231D+01  0.568629D+00 -0.216574D+00  0.247558D+01
      2  -0.191822D+01  0.568629D+00 -0.231469D+01  0.301938D+00 -0.262224D+01
      3   0.415301D+00 -0.216574D+00  0.301938D+00  0.723332D+01  0.399683D+01
                11            12            13            14            15 
      1  -0.262224D+01  0.399683D+01 -0.691926D+01  0.432443D+01  0.215591D+00
      2   0.391163D+01  0.360834D+00  0.432443D+01  0.433759D+01  0.290891D+01
      3   0.360834D+00 -0.284584D+00  0.215591D+00  0.290891D+01  0.152369D+00
                16            17            18            19            20 
      1   0.711097D+01 -0.289906D+00  0.108211D+00 -0.495178D+01  0.428971D+01
      2  -0.289906D+00  0.322184D+01  0.336372D+00  0.428971D+01 -0.161268D+01
      3   0.108211D+00  0.336372D+00 -0.488640D+01 -0.105857D+01  0.477567D+00
                21            22            23            24            25 
      1  -0.105857D+01  0.785173D+01 -0.126865D+01 -0.302917D+00 -0.348126D+01
      2   0.477567D+00 -0.126865D+01  0.167543D+00 -0.307661D+00  0.494322D+00
      3  -0.391426D+00 -0.302917D+00 -0.307661D+00  0.211919D+01 -0.778811D+00
                26            27            28            29            30 
      1   0.494322D+00 -0.778811D+00  0.183086D+01 -0.288295D+01 -0.992625D+00
      2  -0.193779D+01  0.212735D+01 -0.288295D+01  0.582737D+00  0.172747D+01
      3   0.212735D+01  0.664294D+01 -0.992625D+00  0.172747D+01  0.777965D+00
                31            32            33            34            35 
      1  -0.435408D+01 -0.623459D+00  0.212256D+01 -0.538409D+01  0.153010D+01
      2  -0.623459D+00 -0.557116D+00  0.668082D+00  0.153010D+01 -0.413383D+00
      3   0.212256D+01  0.668082D+00 -0.123479D+01  0.194104D+01 -0.991926D+00
                36            37            38            39            40 
      1   0.194104D+01  0.516377D+01  0.213279D+01 -0.172848D+01  0.461591D+00
      2  -0.991926D+00  0.213279D+01  0.203877D+01 -0.788324D+00  0.422707D+00
      3  -0.312554D+01 -0.172848D+01 -0.788324D+00  0.228983D+00 -0.103152D+01
                41            42            43            44            45 
      1   0.422707D+00 -0.103152D+01 -0.375116D+01 -0.191636D+01 -0.114736D+01
      2  -0.298250D+01 -0.172598D+01 -0.191636D+01 -0.225333D+01 -0.152510D+01
      3  -0.172598D+01 -0.773546D+00 -0.114736D+01 -0.152510D+01 -0.275488D+01
                46            47            48            49            50 
      1   0.113022D+01  0.312087D+01 -0.453275D+01  0.330218D+01 -0.332462D+01
      2   0.312087D+01 -0.310652D+01  0.145447D+00 -0.332462D+01 -0.236762D+01
      3  -0.453275D+01  0.145447D+00  0.784219D+00  0.487892D-01 -0.324650D+01
                51            52            53            54            55 
      1   0.487892D-01 -0.370063D+01 -0.348133D-01  0.343758D+00 -0.351421D+01
      2  -0.324650D+01 -0.348133D-01 -0.260155D+01 -0.104555D+00 -0.788089D+00
      3   0.292238D+00  0.343758D+00 -0.104555D+00  0.320719D+01 -0.203139D-02
                56            57            58            59            60 
      1  -0.788089D+00 -0.203139D-02 -0.239372D+01 -0.721688D+00  0.169945D+00
      2  -0.525263D+00 -0.223727D-01 -0.721688D+00  0.379889D+01 -0.171711D+01
      3  -0.223727D-01  0.130278D+01  0.169945D+00 -0.171711D+01 -0.159097D+01
                61            62            63            64            65 
      1  -0.173075D+00 -0.648602D+00  0.730289D+00 -0.660480D+01  0.249450D+01
      2  -0.648602D+00 -0.997479D+00 -0.598337D+00  0.249450D+01 -0.194059D+01
      3   0.730289D+00 -0.598337D+00 -0.363937D+01  0.290225D+01 -0.142230D+01
                66            67            68            69            70 
      1   0.290225D+01  0.482351D+01 -0.190672D+01 -0.128862D+01  0.691966D+01
      2  -0.142230D+01 -0.190672D+01  0.400440D+01  0.180276D+01 -0.860364D+00
      3  -0.203327D+01 -0.128862D+01  0.180276D+01  0.178371D+01 -0.314257D+01
                71            72            73            74            75 
      1  -0.860364D+00 -0.314257D+01  0.719461D+00 -0.755338D+00 -0.113137D+01
      2   0.254859D+01  0.215666D+01 -0.755338D+00  0.393432D+00  0.415620D-01
      3   0.215666D+01  0.626703D+01 -0.113137D+01  0.415620D-01  0.222510D+00
                76            77            78            79            80 
      1  -0.128234D+01  0.230816D+00  0.863859D-01 -0.131354D+01 -0.867708D-01
      2   0.230816D+00 -0.230890D+00 -0.130846D+01 -0.867708D-01 -0.171920D+01
      3   0.863859D-01 -0.130846D+01 -0.744516D+00  0.254346D+00 -0.837635D+00
                81            82            83            84            85 
      1   0.254346D+00 -0.136714D+01 -0.104573D+01 -0.101486D+01 -0.105193D+01
      2  -0.837635D+00 -0.104573D+01 -0.159378D+01 -0.167739D+00 -0.125023D+01
      3  -0.908726D+01 -0.101486D+01 -0.167739D+00 -0.446530D+00 -0.893353D-01
                86            87            88            89            90 
      1  -0.125023D+01 -0.893353D-01 -0.137129D+01 -0.143388D+00 -0.193898D+00
      2  -0.822555D+01 -0.163863D+01 -0.143388D+00 -0.187987D+01 -0.167040D+01
      3  -0.163863D+01 -0.167405D+01 -0.193898D+00 -0.167040D+01 -0.608719D+00
                91            92            93            94            95 
      1  -0.800190D+01 -0.396086D+01  0.191173D+00 -0.235986D+01 -0.204622D+01
      2  -0.396086D+01 -0.311404D+01 -0.598396D-01 -0.204622D+01 -0.249001D+01
      3   0.191173D+00 -0.598396D-01 -0.112184D+01  0.168365D+00 -0.506438D-01
                96            97            98            99           100 
      1   0.168365D+00  0.271007D+01  0.156309D+01 -0.105097D+01 -0.126546D+01
      2  -0.506438D-01  0.156309D+01  0.120255D+01 -0.646804D+00  0.180613D+00
      3  -0.642342D+00 -0.105097D+01 -0.646804D+00  0.302859D+00  0.618071D+00
               101           102           103           104           105 
      1   0.180613D+00  0.618071D+00  0.470993D+00 -0.348544D+00 -0.152025D+00
      2  -0.148032D+01 -0.372807D+00 -0.348544D+00  0.164829D+01  0.102307D+01
      3  -0.372807D+00 -0.170951D+01 -0.152025D+00  0.102307D+01  0.180799D+01
               106           107           108           109           110 
      1   0.161637D+01 -0.262617D-01 -0.957578D+00  0.590595D+01  0.230588D+01
      2  -0.262617D-01  0.237138D+01  0.197033D+01  0.230588D+01  0.287114D+01
      3  -0.957578D+00  0.197033D+01  0.400724D+01 -0.422850D+00  0.114585D+00
               111           112           113           114           115 
      1  -0.422850D+00  0.231438D+01  0.132171D+01  0.281952D+00 -0.875288D+00
      2   0.114585D+00  0.132171D+01  0.201780D+01 -0.725948D-01  0.246173D+00
      3   0.695040D+00  0.281952D+00 -0.725948D-01  0.714194D+00  0.401527D+00
               116           117           118           119           120 
      1   0.246173D+00  0.401527D+00  0.982992D+00  0.699388D+00  0.114344D+01
      2  -0.502155D+00  0.582598D+00  0.699388D+00  0.139723D+01  0.536809D+00
      3   0.582598D+00 -0.319402D+00  0.114344D+01  0.536809D+00  0.820318D+00
               121           122           123           124           125 
      1   0.127347D+01  0.124883D+01  0.941416D+00  0.825686D+00  0.410999D+00
      2   0.124883D+01  0.492883D+01  0.191782D+01  0.410999D+00  0.168217D+01
      3   0.941416D+00  0.191782D+01  0.303530D+01  0.496019D+00  0.146548D+01
               126           127           128           129           130 
      1   0.496019D+00 -0.498627D+01 -0.119836D+01  0.240580D+01 -0.123480D+01
      2   0.146548D+01 -0.119836D+01 -0.101323D+01  0.893746D+00 -0.554883D+00
      3   0.171588D+01  0.240580D+01  0.893746D+00 -0.333099D+01  0.525247D+00
               131           132           133           134           135 
      1  -0.554883D+00  0.525247D+00  0.195857D+01  0.502868D+00 -0.189513D+01
      2  -0.725766D+00  0.120405D+01  0.502868D+00  0.925356D+00 -0.721910D+00
      3   0.120405D+01 -0.999702D+00 -0.189513D+01 -0.721910D+00  0.268231D+01
               136           137           138           139           140 
      1   0.396675D+01 -0.254225D+01  0.255608D+01 -0.279848D+01  0.252163D+01
      2  -0.254225D+01  0.242514D+01 -0.139171D+01  0.252163D+01 -0.321423D+01
      3   0.255608D+01 -0.139171D+01  0.233984D+01 -0.143915D+01  0.228713D+01
               141           142           143           144           145 
      1  -0.143915D+01  0.142762D+01 -0.927562D+00  0.158192D+01  0.903190D-01
      2   0.228713D+01 -0.927562D+00  0.144466D+01 -0.150473D+01 -0.190401D+00
      3  -0.235916D+01  0.158192D+01 -0.150473D+01  0.191497D+01 -0.736684D+00
               146           147           148           149           150 
      1  -0.190401D+00 -0.736684D+00 -0.515578D+00  0.745715D+00  0.564284D-01
      2   0.204807D+00 -0.170405D-02  0.745715D+00 -0.126067D-01 -0.956558D+00
      3  -0.170405D-02 -0.782876D-01  0.564284D-01 -0.956558D+00 -0.377359D+00
               151           152           153           154           155 
      1  -0.188917D+01  0.138019D+00  0.193639D+01  0.228423D+01  0.153899D+01
      2   0.138019D+00 -0.108974D+01 -0.291232D+00  0.153899D+01  0.207147D+01
      3   0.193639D+01 -0.291232D+00 -0.965806D+01  0.413858D+00  0.101964D+00
               156           157           158           159           160 
      1   0.413858D+00  0.316386D+01  0.234303D+01 -0.160038D+00  0.151157D+01
      2   0.101964D+00  0.234303D+01  0.539991D+01  0.550337D+00  0.312560D+00
      3   0.401524D+00 -0.160038D+00  0.550337D+00  0.121913D+01  0.549684D+00
               161           162           163           164           165 
      1   0.312560D+00  0.549684D+00  0.629877D+01 -0.311825D+01  0.711325D+00
      2   0.122783D+01  0.796469D+00 -0.311825D+01  0.252493D+01 -0.304779D+00
      3   0.796469D+00 -0.188303D-01  0.711325D+00 -0.304779D+00  0.820684D+00
               166           167           168           169           170 
      1  -0.497184D+01  0.340335D+01 -0.150182D+00  0.277130D+01 -0.832723D+00
      2   0.340335D+01 -0.301581D+01  0.580207D+00 -0.832723D+00  0.108481D+01
      3  -0.150182D+00  0.580207D+00 -0.114299D+01  0.103971D+01 -0.844582D+00
               171 
      1   0.103971D+01
      2  -0.844582D+00
      3   0.124714D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.335560D+01  0.353009D+01  0.383302D+00  0.457665D+01  0.126693D+01
      2  -0.855441D+01  0.224714D+01  0.966006D+00  0.369001D+01 -0.918922D+01
      3  -0.641506D+01  0.883554D+01  0.110917D+01  0.167725D+02  0.104859D+02
                 6             7             8             9            10 
      1  -0.567419D+00  0.652235D+00  0.334763D+01  0.133418D+01  0.362037D+01
      2   0.837190D+00 -0.912797D+01  0.118449D+01  0.214366D+02  0.814488D+01
      3   0.407311D+01 -0.158211D+01  0.646950D+01 -0.918396D+00 -0.415771D+00
                11            12            13            14            15 
      1  -0.113849D+01  0.341985D+00 -0.784667D+00  0.424478D+01 -0.499422D+01
      2  -0.139807D+01  0.441992D+01 -0.469302D+01  0.450973D+01 -0.870232D-01
      3  -0.368946D+01 -0.176249D+01  0.145479D+01 -0.128275D+02 -0.308434D+01
                16            17            18            19            20 
      1  -0.554498D+00  0.173175D+01 -0.245612D+01 -0.242023D+01 -0.337680D+00
      2  -0.221186D+01  0.958672D+00 -0.478672D+01 -0.270409D+01  0.195743D+01
      3  -0.803693D+00 -0.240345D+01 -0.947343D+00  0.889544D+01 -0.604647D+01
                21            22            23            24            25 
      1  -0.184315D+01  0.243567D+01 -0.834953D+00  0.272240D+01 -0.293957D+01
      2   0.213876D+01  0.673257D+01 -0.165039D+01  0.220011D+01 -0.762280D+01
      3   0.675994D+00  0.976331D+00  0.159447D+01 -0.113600D+01 -0.207822D+01
                26            27            28            29            30 
      1   0.464011D+01 -0.238491D+01  0.998570D+00  0.398509D+01  0.217301D+01
      2   0.983786D+00 -0.169532D+01 -0.534086D+01 -0.182138D+01 -0.551385D+01
      3   0.108234D+01  0.482905D+00 -0.999904D+01  0.298225D+01 -0.139043D+01
                31            32            33            34            35 
      1   0.110247D+00 -0.861001D+01 -0.652391D+00  0.211190D+00  0.161057D+01
      2   0.258480D+01  0.147318D+01  0.343713D+00 -0.103881D+02  0.602632D+00
      3   0.239497D+01  0.411891D+01 -0.151641D+01 -0.575777D+01 -0.706203D+01
                36            37            38            39            40 
      1   0.720393D+01 -0.299391D+01 -0.784029D+00 -0.466628D+00 -0.662308D-01
      2   0.915061D+01  0.562862D+01  0.291582D+01  0.884568D+00 -0.277676D+01
      3  -0.228683D+01 -0.931854D-01 -0.403640D+00  0.709512D+00  0.670877D+01
                41            42            43            44            45 
      1   0.261421D+01 -0.435853D+01  0.304187D+01  0.381925D+01 -0.321109D+01
      2   0.252826D+01  0.202588D+01 -0.520626D+01  0.102129D+01  0.588811D+01
      3  -0.717589D+01 -0.236865D+01  0.241634D+01 -0.234541D+01 -0.280784D+01
                46            47            48            49            50 
      1   0.277586D+01 -0.564037D+01  0.342171D+00 -0.603983D+01 -0.756789D+01
      2  -0.105224D+02 -0.616050D+01  0.134524D+02 -0.443342D+01  0.160909D+01
      3  -0.521945D+01  0.149274D+00  0.217919D+01  0.452632D+01  0.594257D+01
                51            52            53            54            55 
      1  -0.959525D+01 -0.228854D+00 -0.344527D+01  0.282169D+01  0.124268D+01
      2  -0.227978D+00  0.599735D+01  0.245469D+00  0.222298D+01 -0.206934D+01
      3   0.395021D+01  0.206345D+01  0.322787D+01  0.215102D+00 -0.145697D+02
                56            57            58            59            60 
      1   0.255402D+01 -0.273147D+01  0.496441D+00 -0.172839D+01 -0.337997D+01
      2   0.268241D+00  0.235758D+01 -0.138147D+01 -0.314296D+00 -0.136196D+01
      3  -0.747107D+01 -0.573726D+00  0.583922D+01 -0.695967D+00  0.635045D+00
                61            62            63            64            65 
      1  -0.199228D+01  0.735955D+01  0.105954D+02 -0.339536D+00 -0.326772D+01
      2  -0.160869D+01 -0.112649D+00  0.111381D+01 -0.183722D+01  0.261223D+01
      3  -0.260114D+01 -0.191783D+01  0.352885D+01  0.255065D+01 -0.874882D+01
                66            67            68            69            70 
      1   0.106179D+01  0.702636D+00  0.290512D+01 -0.327961D+01 -0.117145D+00
      2   0.976716D+01  0.158073D+01 -0.474868D+01 -0.354796D+01  0.168140D+01
      3  -0.969280D+00  0.143102D+01  0.628073D+01  0.358807D+01  0.371214D+01
                71            72            73            74            75 
      1   0.530795D+01 -0.250612D+01  0.326191D+00 -0.559535D+00  0.362998D+00
      2  -0.375603D+01 -0.140634D+02  0.822755D+00 -0.611932D+00 -0.114281D+00
      3   0.768884D+01  0.364298D+01 -0.326172D+00  0.506009D-01 -0.487039D+00
                76            77            78            79            80 
      1  -0.737683D+00  0.636681D+00 -0.101697D+00  0.513357D+00  0.363931D+01
      2  -0.105037D+01  0.131920D+00 -0.292954D+00 -0.444831D+01 -0.515305D-01
      3   0.160436D+01 -0.206314D+00 -0.212992D+00  0.582794D+00 -0.211527D+00
                81            82            83            84            85 
      1   0.154314D+01 -0.130687D+01  0.117065D+00 -0.629414D+00 -0.329073D+00
      2   0.482512D+00 -0.176248D+01 -0.296585D+00  0.561112D-01 -0.439632D+00
      3  -0.167622D-01  0.372331D+01  0.162974D+01  0.114651D+01  0.573896D+01
                86            87            88            89            90 
      1   0.390837D+00 -0.395127D+01 -0.864894D-01  0.332291D+00 -0.379424D+00
      2  -0.161818D+01 -0.143833D+01 -0.204955D+01 -0.169394D+01 -0.519062D+00
      3   0.921219D+01  0.205203D+01  0.211368D+01  0.193502D+01  0.185896D+01
                91            92            93            94            95 
      1   0.336868D+01  0.199752D+01 -0.191028D+01  0.204857D+01  0.187025D+01
      2  -0.540600D+01 -0.278221D+01  0.382255D+01 -0.260369D+01 -0.178904D+01
      3   0.134995D+01 -0.398080D+01 -0.725837D+00  0.137123D-01 -0.231626D+01
                96            97            98            99           100 
      1  -0.965457D+00 -0.178478D+01 -0.685045D+00  0.126813D+01 -0.184174D+01
      2   0.164725D+01  0.296764D+01  0.182859D+01 -0.232088D+01  0.485416D+00
      3  -0.445624D-01  0.286898D+00  0.196527D+01 -0.353334D+00 -0.265111D+01
               101           102           103           104           105 
      1  -0.345376D-01  0.439263D+01 -0.163236D+00 -0.218111D+01 -0.487887D+01
      2   0.618901D+00  0.574373D-01  0.464820D+00  0.101099D+00 -0.871252D-02
      3  -0.940799D+00  0.157930D+01  0.380935D+00 -0.843966D+00 -0.193023D+00
               106           107           108           109           110 
      1   0.291056D+01 -0.328904D+01 -0.122837D+02 -0.684410D+00 -0.164529D+01
      2  -0.246601D+01 -0.291200D-01 -0.123326D+01  0.258149D+01  0.561623D+00
      3   0.519895D+01 -0.177748D+00 -0.323212D+01  0.175826D+02  0.152114D+01
               111           112           113           114           115 
      1  -0.255346D+01 -0.133481D+01 -0.699455D+00 -0.140858D+01 -0.815805D+00
      2   0.187855D+01  0.693698D+00  0.500732D+00  0.107358D+01 -0.989937D+00
      3  -0.488798D+00  0.452364D+01  0.232598D+01  0.837488D+00 -0.167776D+01
               116           117           118           119           120 
      1   0.253033D+00 -0.627028D+00  0.205808D+01  0.299740D+01  0.123446D+01
      2   0.467411D+00  0.122290D+00  0.339822D+00 -0.586800D+00  0.513811D+00
      3   0.617595D+00  0.435100D+00 -0.653531D+00 -0.293989D+01 -0.103612D+01
               121           122           123           124           125 
      1   0.233785D+01  0.133585D+02  0.255325D+01  0.145180D+01  0.513324D+01
      2  -0.228962D+01  0.246994D+00  0.324028D+01 -0.212386D+01  0.957732D+00
      3   0.127959D+00 -0.817983D+01 -0.222618D+01 -0.666138D+00 -0.192752D+01
               126           127           128           129           130 
      1   0.336098D+01 -0.177462D+00 -0.235966D+01 -0.125127D+01 -0.950864D+00
      2   0.119557D+01  0.158206D+02  0.315480D+01 -0.608610D+01  0.282260D+01
      3  -0.230721D+01  0.549396D+01  0.199062D+00 -0.200958D+01  0.236444D+01
               131           132           133           134           135 
      1  -0.845110D-02  0.340157D+00 -0.435692D+00  0.242550D+01  0.504427D+00
      2   0.229932D+01 -0.177599D+01 -0.821148D+01 -0.185814D+01  0.558554D+01
      3   0.693177D+00 -0.153270D+01 -0.190113D+01 -0.499969D+00  0.200749D+01
               136           137           138           139           140 
      1  -0.265831D+01  0.450594D+01  0.414994D+00  0.355851D+01 -0.463270D+01
      2  -0.402793D+01  0.255790D+01  0.112044D+01  0.392765D+01 -0.135218D+01
      3  -0.211859D+00 -0.309916D+01  0.267608D+00  0.221615D+00  0.325443D+01
               141           142           143           144           145 
      1   0.524909D+00 -0.601839D+00  0.272564D+01 -0.691140D+00 -0.214103D+00
      2  -0.145633D+01 -0.265453D+01  0.555206D-01  0.300469D+00 -0.252375D+01
      3  -0.211890D+01 -0.512297D+00 -0.184664D+01  0.819551D+00  0.742776D+00
               146           147           148           149           150 
      1  -0.132660D+00 -0.299626D-01 -0.539502D+00 -0.351088D+00 -0.162211D+00
      2  -0.876124D-01  0.328489D+00 -0.302511D+00 -0.132505D+01 -0.916866D+00
      3  -0.121644D+01  0.298672D+00 -0.908749D+00 -0.637964D+00  0.210082D+01
               151           152           153           154           155 
      1   0.472280D+00  0.369999D+01 -0.283556D+01 -0.112110D+01 -0.182724D+01
      2  -0.365024D+00 -0.619670D+00 -0.239384D+02  0.282230D+01  0.167109D+01
      3   0.516345D+00  0.305291D+01  0.288585D+00 -0.485716D+01 -0.690043D+01
               156           157           158           159           160 
      1  -0.799536D+00 -0.185347D+01 -0.403416D+01 -0.244406D+01 -0.351316D+00
      2   0.234135D+01  0.152836D+01  0.417027D+01  0.439324D+01  0.107627D+01
      3  -0.444090D+00 -0.410607D+01 -0.187578D+02 -0.220990D+01 -0.378677D+00
               161           162           163           164           165 
      1   0.294479D+00 -0.106507D+01  0.272285D+01 -0.195992D+01  0.150784D+01
      2   0.235604D+01  0.710848D+00  0.677768D+01 -0.367007D+01  0.503895D+01
      3  -0.418936D+01 -0.219303D+01  0.487465D+01 -0.836770D+01  0.770345D+00
               166           167           168           169           170 
      1  -0.214230D+01  0.221083D+01 -0.283109D+01  0.853637D+00 -0.463874D+00
      2  -0.405476D+01  0.441645D+01 -0.464713D+01  0.356541D+01 -0.273815D+01
      3  -0.587845D+01  0.793079D+01 -0.191852D+01  0.106832D+01 -0.345785D+01
               171 
      1   0.959389D+00
      2   0.167311D+01
      3   0.178335D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.106840D+01  0.127896D+02 -0.172165D+02  0.139423D+02 -0.270435D+02
      2  -0.566674D+01 -0.465579D+01  0.792524D+01 -0.443693D+01  0.803699D+01
      3   0.673514D+01 -0.813379D+01  0.929124D+01 -0.950541D+01  0.190065D+02
      4   0.167045D+02 -0.238536D+02  0.290049D+01 -0.330509D+02 -0.102008D+02
      5  -0.182985D+02 -0.566679D+00  0.594829D+01 -0.118365D+01 -0.759327D+01
      6   0.647561D+00  0.267854D+01 -0.786882D+00  0.227859D+01  0.395663D+01
                 6             7             8             9            10 
      1  -0.145175D+00 -0.220898D+02  0.279293D+01  0.126144D+02 -0.930490D+01
      2   0.110836D+01  0.702640D+01  0.177677D+00  0.894435D+01 -0.196689D+00
      3  -0.963187D+00  0.150634D+02 -0.297061D+01 -0.215587D+02  0.950159D+01
      4  -0.965930D+01  0.584201D+01 -0.127674D+02  0.235408D+01 -0.612538D+01
      5   0.107498D+01  0.214830D+01  0.143911D+01  0.308330D+02  0.151347D+02
      6   0.132716D+01  0.413219D+00  0.175942D+01 -0.715152D+01 -0.513448D+01
                11            12            13            14            15 
      1  -0.133591D+01  0.128721D+02 -0.217883D+01  0.194329D+02  0.380680D+01
      2  -0.130592D+01 -0.886602D+01  0.933463D-01 -0.231114D+02 -0.577745D+01
      3   0.264183D+01 -0.400610D+01  0.208548D+01  0.367857D+01  0.197065D+01
      4   0.890677D+01 -0.263236D+01  0.184915D+02  0.356062D+01  0.471611D+01
      5   0.254407D+00 -0.171593D+01  0.436440D+00  0.487390D+01  0.360514D+00
      6   0.205030D+00  0.279871D+00  0.707894D+00 -0.955536D+01  0.326092D+01
                16            17            18            19            20 
      1   0.167531D+02  0.131447D+01  0.197247D+01 -0.344230D+01 -0.272575D+01
      2  -0.811961D+01 -0.433767D+01 -0.238192D+01  0.754692D+01 -0.774222D+00
      3  -0.863352D+01  0.302320D+01  0.409443D+00 -0.410462D+01  0.349997D+01
      4  -0.540868D+01  0.517485D+01  0.112989D+01 -0.704268D+00 -0.205479D+01
      5  -0.806284D+00  0.147785D+01 -0.121047D+02 -0.531128D+01 -0.910502D+00
      6  -0.692777D+00 -0.207508D+01  0.369597D+01  0.201751D+01 -0.216732D+00
                21            22            23            24            25 
      1  -0.229549D+01  0.258827D+01 -0.100010D+01  0.140157D+01 -0.848725D+01
      2   0.383257D+01 -0.441119D+01  0.652677D+00  0.367416D+01  0.394000D+01
      3  -0.153709D+01  0.182292D+01  0.347426D+00 -0.507573D+01  0.454725D+01
      4   0.682650D+00 -0.127527D+02  0.256749D+01 -0.185038D+01  0.407242D+01
      5   0.165293D+01  0.810115D+00  0.822420D+00  0.393747D+01  0.233970D+01
      6   0.258051D-01 -0.299354D+01  0.358526D+01 -0.705820D+01 -0.122703D+01
                26            27            28            29            30 
      1   0.574828D+01  0.891567D+01 -0.668323D+01  0.976806D+01  0.119441D+00
      2  -0.148006D+01  0.172106D+02  0.297681D+01 -0.658636D+01 -0.383391D+01
      3  -0.426823D+01 -0.261262D+02  0.370642D+01 -0.318169D+01  0.371447D+01
      4  -0.842196D-01 -0.172587D+01  0.940547D+01 -0.842828D+01 -0.835076D+01
      5  -0.595455D+00  0.542188D+00  0.679070D+01 -0.768219D+01 -0.125933D+02
      6   0.463328D+01 -0.107111D+01 -0.532440D+01  0.103467D+01 -0.218173D+01
                31            32            33            34            35 
      1   0.170128D+02  0.525390D+01 -0.425638D+01  0.169758D+02 -0.194324D+01
      2  -0.936769D+01 -0.692393D+01  0.863321D+01 -0.942845D+01 -0.383086D+01
      3  -0.764515D+01  0.167003D+01 -0.437683D+01 -0.754733D+01  0.577410D+01
      4  -0.301902D+01 -0.174427D+01 -0.115928D+01 -0.972643D+01  0.780613D+01
      5  -0.169176D+02 -0.542801D+00 -0.329955D+01 -0.119541D+02  0.911977D+00
      6  -0.308455D+01 -0.696245D+01 -0.221839D+01 -0.760886D+00 -0.221482D+01
                36            37            38            39            40 
      1  -0.748250D+01 -0.187846D+02 -0.930124D+01  0.720395D+01 -0.885890D+01
      2   0.560323D+01  0.373810D+01  0.348364D+01 -0.431868D+01  0.382909D+01
      3   0.187927D+01  0.150465D+02  0.581760D+01 -0.288527D+01  0.502981D+01
      4   0.368729D+01 -0.166284D+02 -0.497654D+01  0.637618D+01  0.407145D+01
      5   0.149800D+02  0.767907D+01  0.375760D+01  0.770541D+01  0.817946D+01
      6  -0.562402D+01  0.532490D+01  0.242003D+01  0.141064D+01  0.592601D+01
                41            42            43            44            45 
      1  -0.167565D+02 -0.121674D+01  0.126934D+02  0.158054D+01 -0.407444D+01
      2   0.214371D+02  0.486067D+00 -0.491521D+01  0.240974D+01 -0.391437D+01
      3  -0.468060D+01  0.730675D+00 -0.777818D+01 -0.399028D+01  0.798881D+01
      4   0.137905D+02  0.778611D+01  0.145467D+02  0.114869D+02  0.524415D+01
      5   0.796543D+01  0.766335D+01  0.124557D+02  0.823248D+01  0.148177D+02
      6   0.891135D+01  0.947173D+01  0.344972D+01  0.100674D+02  0.901787D+01
                46            47            48            49            50 
      1   0.122644D+02  0.652108D+01 -0.115515D+02  0.524057D+01 -0.398738D+01
      2  -0.773864D+00 -0.231213D-01  0.299642D+01  0.384729D+00  0.980723D+01
      3  -0.114905D+02 -0.649796D+01  0.855513D+01 -0.562530D+01 -0.581985D+01
      4   0.621551D+01 -0.141336D+02  0.904312D+01 -0.159875D+02 -0.187934D+01
      5  -0.615564D+01  0.102276D+02 -0.117154D+02  0.829017D+01 -0.185979D+02
      6   0.162168D+02 -0.112635D+02 -0.985267D-01 -0.128568D+02 -0.489623D+01
                51            52            53            54            55 
      1   0.895829D+00 -0.101253D+02 -0.488858D+00 -0.694271D+01  0.983266D+00
      2   0.384469D+01  0.243443D+01  0.216967D+01 -0.567399D+01 -0.333680D+01
      3  -0.474052D+01  0.769083D+01 -0.168082D+01  0.126167D+02  0.235353D+01
      4  -0.119571D+02  0.712600D+01 -0.839201D+01 -0.116282D-01 -0.185387D+02
      5   0.798814D+00 -0.121161D+02 -0.599056D+00  0.993757D+01  0.596816D+01
      6  -0.145114D+02  0.854538D-01 -0.104489D+02 -0.252095D+00 -0.165070D+01
                56            57            58            59            60 
      1  -0.185709D+00  0.152812D+01 -0.225437D+01 -0.208357D+02  0.365145D+01
      2  -0.408162D+01 -0.123495D+01  0.543014D+00  0.306175D+02 -0.657508D+01
      3   0.426733D+01 -0.293175D+00  0.171135D+01 -0.978184D+01  0.292363D+01
      4  -0.228018D+01 -0.217688D+01  0.315937D+01 -0.437453D+01  0.733259D+00
      5  -0.122147D+01  0.380783D+01 -0.608977D-01 -0.165000D+00 -0.309517D+01
      6  -0.749872D-01  0.374497D+01  0.116427D+01 -0.648153D+01  0.648660D+01
                61            62            63            64            65 
      1   0.867811D+00  0.668721D+01 -0.184349D+00  0.344880D+02 -0.908159D+01
      2  -0.312910D+01 -0.470983D+01 -0.626511D+01 -0.185106D+02  0.318190D+01
      3   0.226129D+01 -0.197738D+01  0.644946D+01 -0.159774D+02  0.589969D+01
      4  -0.300281D+01  0.380835D+00  0.285488D+01 -0.148294D+02  0.170477D+02
      5   0.300301D+01  0.204824D-01  0.149164D+01 -0.171633D+02  0.764953D+01
      6   0.249008D+01  0.399088D+00 -0.176166D+02  0.227058D+01 -0.316059D+01
                66            67            68            69            70 
      1  -0.869796D+01 -0.149214D+02  0.701997D+00  0.131535D+01 -0.159167D+02
      2   0.934158D+01  0.621238D+01  0.524262D+01 -0.248432D+01  0.105822D+02
      3  -0.643616D+00  0.870898D+01 -0.594462D+01  0.116897D+01  0.533453D+01
      4   0.774620D+01  0.155037D+02 -0.166987D+02 -0.898287D+01  0.497631D+01
      5   0.192411D+02  0.787792D+01 -0.912994D+01 -0.659967D+01  0.221526D+02
      6  -0.184790D+01 -0.430921D+01  0.348120D+01  0.772397D+01 -0.334270D+01
                71            72            73            74            75 
      1  -0.580372D+00  0.233538D+01  0.101946D+01  0.466079D+00 -0.468268D-01
      2   0.479109D+00 -0.146599D+02 -0.513857D+01  0.196895D+00  0.181881D+00
      3   0.101263D+00  0.123245D+02  0.411911D+01 -0.662973D+00 -0.135054D+00
      4  -0.132215D+02 -0.106054D+02 -0.468165D+00  0.179632D+01 -0.373361D+00
      5  -0.878048D+01 -0.296197D+02 -0.209830D-01  0.407302D+00  0.652532D+01
      6   0.768009D+01  0.414783D+01 -0.387617D+00  0.483222D+00 -0.509870D+00
                76            77            78            79            80 
      1   0.875958D+00 -0.358636D+01 -0.109359D+01  0.122832D+01  0.276439D+00
      2   0.252720D+00 -0.119945D+01 -0.291923D+01  0.347204D+00 -0.460582D+01
      3  -0.112868D+01  0.478581D+01  0.401282D+01 -0.157552D+01  0.432938D+01
      4   0.251841D+01 -0.224311D+00  0.411262D+00  0.213062D-01 -0.138795D+00
      5   0.408624D+00 -0.183824D+00 -0.349128D+00  0.533817D+01 -0.893802D-01
      6   0.710492D+00  0.667463D+00  0.750093D+01  0.829760D+00  0.481263D+01
                81            82            83            84            85 
      1  -0.200609D+02 -0.852115D+00 -0.415251D+01 -0.254304D+01 -0.558755D+01
      2  -0.199663D+02  0.427109D+01  0.543381D+01  0.222970D+01  0.577098D+01
      3   0.400272D+02 -0.341897D+01 -0.128130D+01  0.313340D+00 -0.183435D+00
      4   0.892964D+00  0.916545D+00  0.387181D+01  0.908826D+00  0.258181D+01
      5   0.301647D+00 -0.171889D+01  0.784872D+00  0.101648D+01  0.124514D+01
      6  -0.151718D+01  0.181769D+01  0.171781D+01  0.817067D+00  0.116146D+01
                86            87            88            89            90 
      1  -0.199691D+02 -0.271241D+01 -0.393679D+01 -0.418495D+01 -0.512018D+01
      2   0.314899D+02  0.576787D+01  0.253554D+01  0.443708D+01  0.333350D+01
      3  -0.115208D+02 -0.305546D+01  0.140126D+01 -0.252137D+00  0.178669D+01
      4  -0.102087D+02 -0.214220D+01  0.436305D+00 -0.242618D+01 -0.168463D+01
      5  -0.247478D+01 -0.344895D+01  0.222409D+01 -0.225095D+01 -0.200726D+00
      6   0.854482D+01  0.677775D+01  0.139163D+01  0.900283D+01  0.451998D+01
                91            92            93            94            95 
      1   0.387577D+02  0.153710D+02 -0.208832D+01  0.650502D+01  0.518432D+01
      2  -0.134281D+02 -0.273492D+01 -0.122048D+00  0.105936D+01  0.267044D+01
      3  -0.253296D+02 -0.126360D+02  0.221037D+01 -0.756438D+01 -0.785476D+01
      4   0.294257D+02  0.194807D+02 -0.503137D+00  0.140040D+02  0.133446D+02
      5   0.316552D+01  0.194212D+01  0.528125D+01  0.715995D+00  0.110046D+01
      6  -0.903872D+00  0.322758D+00  0.241956D+01  0.453694D+00  0.484770D+00
                96            97            98            99           100 
      1  -0.636065D+00 -0.116745D+02 -0.556308D+01  0.351153D+01  0.967086D-01
      2  -0.271274D+00  0.348392D+01  0.610549D+00 -0.140051D+01  0.329725D+00
      3   0.907339D+00  0.819057D+01  0.495253D+01 -0.211102D+01 -0.426433D+00
      4  -0.290796D+00 -0.106514D+02 -0.730438D+01  0.452569D+01 -0.151601D+01
      5   0.228468D+01  0.568759D+01  0.314228D+01 -0.175168D+01 -0.807122D+00
      6   0.198495D+01  0.355071D+01  0.261069D+01 -0.143833D+01  0.277214D+01
               101           102           103           104           105 
      1   0.341376D+01  0.178831D+00  0.106958D+01 -0.421222D+01 -0.290351D+01
      2  -0.522057D+01 -0.149625D+01 -0.155861D+01  0.678374D+01  0.405960D+01
      3   0.180681D+01  0.131742D+01  0.489026D+00 -0.257152D+01 -0.115609D+01
      4   0.293214D+01  0.203159D+01  0.260000D+01 -0.169064D+01 -0.761967D+00
      5   0.348511D+00  0.790005D+00  0.476783D+00 -0.669294D+00  0.184352D+00
      6  -0.104488D+00 -0.598644D+01 -0.723361D+00  0.407351D+01  0.881844D+01
               106           107           108           109           110 
      1   0.724213D+00 -0.744765D+01 -0.857553D+01  0.570797D+01 -0.313273D+01
      2  -0.888111D-01  0.889933D+01  0.601887D+01  0.423960D+01  0.101132D+02
      3  -0.635402D+00 -0.145168D+01  0.255666D+01 -0.994757D+01 -0.698045D+01
      4   0.406602D+01 -0.873810D+00 -0.385846D+01  0.212502D+02  0.144690D+02
      5   0.127435D+01 -0.740206D+00 -0.307648D+00 -0.425580D+01 -0.911670D+00
      6  -0.470498D+01  0.109581D+02  0.168657D+02 -0.214749D+01 -0.894698D+00
               111           112           113           114           115 
      1  -0.115412D+01  0.281872D+00 -0.129681D+01  0.383850D+00 -0.161540D+01
      2   0.106431D+01  0.450465D+01  0.676224D+01 -0.565057D+00  0.226844D+01
      3   0.898092D-01 -0.478652D+01 -0.546543D+01  0.181207D+00 -0.653048D+00
      4  -0.113940D+01  0.121890D+02  0.857006D+01  0.116220D+01 -0.951433D+00
      5   0.251212D+01 -0.296770D+00 -0.530296D+00  0.147251D+01  0.347073D+01
      6   0.302424D+01  0.521924D+00 -0.670279D+00  0.289716D+01  0.172062D+01
               116           117           118           119           120 
      1   0.696767D+00 -0.821981D+00  0.224108D+01  0.216737D+01  0.196267D+01
      2   0.267336D+00  0.752757D+00 -0.324027D+01 -0.245940D+01 -0.311729D+01
      3  -0.964103D+00  0.692240D-01  0.999187D+00  0.292026D+00  0.115461D+01
      4   0.864706D+00  0.201489D+01  0.357389D+01  0.674352D+01  0.143958D+01
      5   0.980605D+00 -0.104705D+01  0.604899D+01  0.409975D+01  0.775988D+01
      6   0.385665D+01 -0.377199D+00  0.203236D+01  0.529361D+01  0.185149D+01
               121           122           123           124           125 
      1   0.334459D+01 -0.291246D+01 -0.480864D+01  0.613287D+00 -0.286702D+01
      2  -0.397087D+01 -0.533575D+00 -0.667553D+01 -0.207704D+01 -0.346325D+01
      3   0.626284D+00  0.344604D+01  0.114842D+02  0.146375D+01  0.633026D+01
      4   0.645319D+01  0.133890D+02  0.680164D+01  0.691653D+00  0.471224D+01
      5   0.722126D+01  0.105133D+02  0.106087D+02  0.586757D+01  0.565131D+01
      6   0.584419D+01  0.182351D+02  0.103841D+02  0.226833D+01  0.967370D+01
               126           127           128           129           130 
      1  -0.400332D+01 -0.932050D+01 -0.534044D+01  0.128714D+02 -0.407984D+01
      2  -0.418363D+01  0.245324D+00  0.209556D+01  0.249272D+01  0.222023D+01
      3   0.818695D+01  0.907517D+01  0.324488D+01 -0.153641D+02  0.185960D+01
      4   0.405607D+01  0.564286D+01  0.330850D+01 -0.358729D+01  0.426939D+01
      5   0.625143D+01 -0.125035D+02 -0.372273D+01  0.568683D+01 -0.363296D+01
      6   0.651461D+01 -0.722145D+01 -0.555440D+01  0.717818D+01 -0.336047D+01
               131           132           133           134           135 
      1  -0.432503D+01  0.397464D+01  0.911138D+01  0.356144D+01 -0.113787D+02
      2   0.187364D+01 -0.120850D+01  0.167805D+01 -0.430619D+00 -0.416680D+01
      3   0.245138D+01 -0.276614D+01 -0.107894D+02 -0.313082D+01  0.155454D+02
      4   0.170946D+01  0.452496D+00 -0.254421D+01  0.138875D-01  0.217257D+01
      5   0.162628D+00  0.657048D+00  0.798036D+01  0.144953D+01 -0.497374D+01
      6  -0.403639D+01  0.721771D+01  0.442185D+01  0.602045D+01 -0.615297D+01
               136           137           138           139           140 
      1   0.114496D+02 -0.427107D+01  0.226968D+01 -0.469248D+01 -0.203076D+01
      2  -0.750129D+01  0.574804D+00 -0.580873D+01  0.330794D+00  0.526231D+01
      3  -0.394828D+01  0.369627D+01  0.353906D+01  0.436168D+01 -0.323155D+01
      4  -0.157768D+02  0.142847D+02 -0.878619D+01  0.150947D+02 -0.157643D+02
      5   0.198060D+02 -0.120839D+02  0.166789D+02 -0.128857D+02  0.133233D+02
      6  -0.116135D+02  0.114544D+02 -0.889001D+01  0.111314D+02 -0.149609D+02
               141           142           143           144           145 
      1   0.331469D+01  0.144315D+01  0.228627D+01 -0.192240D+01  0.680730D+00
      2   0.949381D+00 -0.430663D+01  0.115493D+01 -0.436447D+01 -0.260473D+01
      3  -0.426407D+01  0.286348D+01 -0.344120D+01  0.628687D+01  0.192400D+01
      4   0.957111D+01 -0.547430D+01  0.615271D+01 -0.737936D+01 -0.140634D+01
      5  -0.112691D+02  0.122206D+02 -0.791518D+01  0.115864D+02 -0.351441D+01
      6   0.132796D+02 -0.658811D+01  0.983776D+01 -0.967933D+01  0.767479D+00
               146           147           148           149           150 
      1  -0.147708D+01 -0.492856D+01 -0.191366D+01  0.666817D+00 -0.124714D+01
      2   0.502526D+00  0.261889D+01  0.582988D+00 -0.123681D+01  0.667744D+00
      3   0.974553D+00  0.230967D+01  0.133067D+01  0.569997D+00  0.579395D+00
      4   0.277250D+01  0.338239D+00  0.543247D+01 -0.105861D+00 -0.419081D+01
      5   0.132775D+00  0.630534D+01  0.692138D+00 -0.391575D+01 -0.133117D+01
      6   0.862310D-01  0.481697D+00 -0.140505D+01  0.138973D+01  0.675189D+01
               151           152           153           154           155 
      1  -0.750893D+01 -0.998978D+00 -0.127485D+02  0.160809D+02  0.927257D+01
      2   0.834834D+01  0.120877D+00 -0.201925D+02 -0.535845D+01 -0.303659D+01
      3  -0.839409D+00  0.878100D+00  0.329410D+02 -0.107224D+02 -0.623598D+01
      4   0.107047D+01 -0.533350D+01 -0.241368D+01  0.978680D+01  0.155783D+02
      5   0.153856D+02 -0.170558D+01 -0.455984D+02  0.127373D+01  0.314097D+00
      6  -0.202158D+01  0.636182D+01  0.815135D+01 -0.111007D+01 -0.223957D+01
               156           157           158           159           160 
      1   0.278865D+01  0.182448D+02  0.111135D+02  0.226735D+00  0.869214D+01
      2  -0.735210D+00 -0.785731D+01  0.286017D+01  0.143825D+01 -0.375200D+01
      3  -0.205344D+01 -0.103875D+02 -0.139737D+02 -0.166498D+01 -0.494014D+01
      4   0.114368D+01  0.190000D+02  0.296433D+02  0.302055D+01  0.259909D+01
      5   0.311585D+01 -0.205653D+01  0.301139D+01  0.760421D+01  0.391481D+01
      6   0.444083D+00 -0.160470D+01 -0.483911D+01  0.174776D+01  0.121857D+01
               161           162           163           164           165 
      1   0.179619D+01  0.615935D+00  0.435169D+02 -0.182367D+02  0.519276D+01
      2   0.306232D+00 -0.184675D+01 -0.165068D+02  0.503183D+01 -0.138284D+01
      3  -0.210243D+01  0.123082D+01 -0.270102D+02  0.132049D+02 -0.380992D+01
      4   0.642918D+01  0.447935D+01 -0.265315D+02  0.214095D+02 -0.275980D+01
      5   0.503694D+01  0.373747D+00  0.123140D+01 -0.518000D+00  0.685586D+01
      6   0.172675D+01  0.112409D+01  0.162652D+01 -0.218729D+01 -0.137624D+01
               166           167           168           169           170 
      1  -0.248833D+02  0.143531D+02 -0.148550D+01  0.140194D+02 -0.420065D+01
      2   0.634706D+01  0.200759D+01 -0.108440D+01 -0.506032D+01  0.291326D+00
      3   0.185362D+02 -0.163607D+02  0.256990D+01 -0.895908D+01  0.390932D+01
      4   0.278142D+02 -0.232870D+02  0.368888D+01 -0.768901D+01  0.752033D+01
      5   0.680020D+00  0.203003D+01 -0.725381D+01  0.778624D+01 -0.526971D+01
      6  -0.221332D+01  0.137383D+01  0.301606D+01 -0.210530D+01  0.221240D+01
               171 
      1   0.344426D+01
      2  -0.275275D+01
      3  -0.691506D+00
      4  -0.573274D+01
      5   0.183727D+01
      6  -0.855690D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.604592D+00      0.153672D+01      0.512594D+01
   y         -0.648839D+00     -0.164919D+01     -0.550109D+01
   z         -0.552847D-01     -0.140520D+00     -0.468724D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.822684D+02      0.121909D+02      0.135642D+02
   yx         0.708673D+00      0.105015D+00      0.116844D+00
   yy         0.716521D+02      0.106177D+02      0.118138D+02
   zx        -0.279313D+01     -0.413898D+00     -0.460524D+00
   zy         0.252988D+01      0.374890D+00      0.417121D+00
   zz         0.699315D+02      0.103628D+02      0.115301D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.800353D+02      0.118600D+02      0.131960D+02
   aniso      0.140323D+02      0.207937D+01      0.231361D+01
   xx         0.883730D+02      0.130955D+02      0.145707D+02
   yx         0.396564D+00      0.587647D-01      0.653845D-01
   yy         0.768743D+02      0.113916D+02      0.126749D+02
   zx        -0.265107D+01     -0.392849D+00     -0.437103D+00
   zy         0.230137D+01      0.341027D+00      0.379444D+00
   zz         0.748587D+02      0.110929D+02      0.123425D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.86226565          1.26513217          3.58459217
     6          0.45728691          0.54899311          2.15539016
     6          1.13324831         -0.53641276         -0.50075621
     6         -1.23908976         -1.57726423         -1.71160786
     8         -1.95896519         -3.78688209         -0.65227171
     6         -1.37545119          2.77427411          2.01174806
     7          2.31371840          1.19192717         -2.27462878
     8         -2.43033892         -0.56524136         -3.36385055
     1          2.39832729         -2.13975496         -0.17962232
     1         -0.45521485         -0.99158164          3.18819802
     1         -3.52678812         -4.28334591         -1.46217920
     1          0.98993673          2.25459485         -3.15767131
     1          3.57315121          2.34004742         -1.41283401
     1         -0.54095941          4.35578203          0.98180569
     1         -3.13539721          2.26948058          1.06475661
     1         -1.84202862          3.44108070          3.90631371
     1          4.16971419         -0.32612988          3.70913674
     1          3.84871799          2.83518010          2.67392913
     1          2.40937100          1.86981734          5.50335310

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.888583D+00      0.225855D+01      0.753372D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.740583D+02      0.109743D+02      0.122106D+02
   yx         0.426659D+01      0.632243D+00      0.703465D+00
   yy         0.734714D+02      0.108873D+02      0.121138D+02
   zx         0.613267D+01      0.908769D+00      0.101114D+01
   zy         0.112647D+01      0.166925D+00      0.185729D+00
   zz         0.763224D+02      0.113098D+02      0.125839D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.800353D+02      0.118600D+02      0.131960D+02
   aniso      0.140323D+02      0.207937D+01      0.231361D+01
   xx         0.792696D+02      0.117465D+02      0.130698D+02
   yx         0.447404D+01      0.662984D+00      0.737669D+00
   yy         0.786072D+02      0.116484D+02      0.129606D+02
   zx         0.625083D+01      0.926277D+00      0.103062D+01
   zy         0.168091D+01      0.249086D+00      0.277145D+00
   zz         0.822293D+02      0.121851D+02      0.135578D+02

 ----------------------------------------------------------------------
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 HE THAT IS UNAWARE OF HIS IGNORANCE WILL BE MISLED BY HIS KNOWLEDGE.

                                        -- WHATLEY
 Job cpu time:       0 days  0 hours 56 minutes 50.3 seconds.
 Elapsed time:       0 days  0 hours  7 minutes  8.0 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:41:20 2021.
